propane;8-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;3-propan-2-yl-5,6-dihydroquinoline;3-propan-2-yl-5,8-dihydroquinoline;4-propan-2-yl-5,8-dihydroquinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;4-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;7-propan-2-yl-1,2,3,4-tetrahydro-2,6-naphthyridine;8-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine;4-propan-2-yl-5,6,7,8-tetrahydroquinazoline;4-propan-2-yl-5,6,7,8-tetrahydroquinoline

C173H287N15OS — CID 159669888

IUPACpropane;8-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;3-propan-2-yl-5,6-dihydroquinoline;3-propan-2-yl-5,8-dihydroquinoline;4-propan-2-yl-5,8-dihydroquinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;4-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;7-propan-2-yl-1,2,3,4-tetrahydro-2,6-naphthyridine;8-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine;4-propan-2-yl-5,6,7,8-tetrahydroquinazoline;4-propan-2-yl-5,6,7,8-tetrahydroquinoline
SMILESCC(C)C1=CC2=C(CCCC2)C1.CC(C)c1cc2c(cn1)CCCC2.CC(C)c1cc2c(cn1)CCNC2.CC(C)c1cc2c(s1)CCCC2.CC(C)c1ccnc2c1CC=CC2.CC(C)c1ccnc2c1CCCC2.CC(C)c1ccnc2c1CNCC2.CC(C)c1cnc2c(c1)CC=CC2.CC(C)c1cnc2c(c1)CCC=C2.CC(C)c1cncc2c1NCCO2.CC(C)c1nccc2c1CNCC2.CC(C)c1ncnc2c1CCCC2.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC
InChIInChI=1S/2C12H15N.2C12H17N.C12H15N.C12H18.4C11H16N2.C11H16S.C10H14N2O.12C3H8/c2*1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;2*1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)9-3-6-13-11-4-5-12-7-10(9)11;1-8(2)11-10-7-12-5-3-9(10)4-6-13-11;1-8(2)11-5-10-6-12-4-3-9(10)7-13-11;1-8(2)11-9-5-3-4-6-10(9)12-7-13-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-5-11-6-9-10(8)12-3-4-13-9;12*1-3-2/h4,6-9H,3,5H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;2*7-9H,3-6H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;7,9H,3-6,8H2,1-2H3;3,6,8,12H,4-5,7H2,1-2H3;4,6,8,12H,3,5,7H2,1-2H3;5,7-8,12H,3-4,6H2,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;5-7,12H,3-4H2,1-2H3;12*3H2,1-2H3
InChIKeyMTWDXFFJRIBFLO-UHFFFAOYSA-N
MW2625.37 g/mol
LogP49.68
Rot. Bonds12

About propane;8-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;3-propan-2-yl-5,6-dihydroquinoline;3-propan-2-yl-5,8-dihydroquinoline;4-propan-2-yl-5,8-dihydroquinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;4-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;7-propan-2-yl-1,2,3,4-tetrahydro-2,6-naphthyridine;8-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine;4-propan-2-yl-5,6,7,8-tetrahydroquinazoline;4-propan-2-yl-5,6,7,8-tetrahydroquinoline

propane;8-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;3-propan-2-yl-5,6-dihydroquinoline;3-propan-2-yl-5,8-dihydroquinoline;4-propan-2-yl-5,8-dihydroquinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;4-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;7-propan-2-yl-1,2,3,4-tetrahydro-2,6-naphthyridine;8-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine;4-propan-2-yl-5,6,7,8-tetrahydroquinazoline;4-propan-2-yl-5,6,7,8-tetrahydroquinoline (PubChem CID 159669888) has the molecular formula C173H287N15OS and a molecular weight of 2625.37 g/mol. Its IUPAC name is propane;8-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;3-propan-2-yl-5,6-dihydroquinoline;3-propan-2-yl-5,8-dihydroquinoline;4-propan-2-yl-5,8-dihydroquinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;4-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;7-propan-2-yl-1,2,3,4-tetrahydro-2,6-naphthyridine;8-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine;4-propan-2-yl-5,6,7,8-tetrahydroquinazoline;4-propan-2-yl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Namepropane;8-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;3-propan-2-yl-5,6-dihydroquinoline;3-propan-2-yl-5,8-dihydroquinoline;4-propan-2-yl-5,8-dihydroquinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;4-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;7-propan-2-yl-1,2,3,4-tetrahydro-2,6-naphthyridine;8-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine;4-propan-2-yl-5,6,7,8-tetrahydroquinazoline;4-propan-2-yl-5,6,7,8-tetrahydroquinoline
PubChem CID159669888
Molecular FormulaC173H287N15OS
Molecular Weight2625.37 g/mol
Exact Mass2623.26
IUPAC Namepropane;8-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;3-propan-2-yl-5,6-dihydroquinoline;3-propan-2-yl-5,8-dihydroquinoline;4-propan-2-yl-5,8-dihydroquinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;4-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;7-propan-2-yl-1,2,3,4-tetrahydro-2,6-naphthyridine;8-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine;4-propan-2-yl-5,6,7,8-tetrahydroquinazoline;4-propan-2-yl-5,6,7,8-tetrahydroquinoline
SMILESCC(C)C1=CC2=C(CCCC2)C1.CC(C)c1cc2c(cn1)CCCC2.CC(C)c1cc2c(cn1)CCNC2.CC(C)c1cc2c(s1)CCCC2.CC(C)c1ccnc2c1CC=CC2.CC(C)c1ccnc2c1CCCC2.CC(C)c1ccnc2c1CNCC2.CC(C)c1cnc2c(c1)CC=CC2.CC(C)c1cnc2c(c1)CCC=C2.CC(C)c1cncc2c1NCCO2.CC(C)c1nccc2c1CNCC2.CC(C)c1ncnc2c1CCCC2.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC
InChIInChI=1S/2C12H15N.2C12H17N.C12H15N.C12H18.4C11H16N2.C11H16S.C10H14N2O.12C3H8/c2*1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;2*1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)9-3-6-13-11-4-5-12-7-10(9)11;1-8(2)11-10-7-12-5-3-9(10)4-6-13-11;1-8(2)11-5-10-6-12-4-3-9(10)7-13-11;1-8(2)11-9-5-3-4-6-10(9)12-7-13-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-5-11-6-9-10(8)12-3-4-13-9;12*1-3-2/h4,6-9H,3,5H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;2*7-9H,3-6H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;7,9H,3-6,8H2,1-2H3;3,6,8,12H,4-5,7H2,1-2H3;4,6,8,12H,3,5,7H2,1-2H3;5,7-8,12H,3-4,6H2,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;5-7,12H,3-4H2,1-2H3;12*3H2,1-2H3
InChIKeyMTWDXFFJRIBFLO-UHFFFAOYSA-N
XLogP49.68
TPSA199.14 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms190
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002625.37
LogP ≤ 549.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze propane;8-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;3-propan-2-yl-5,6-dihydroquinoline;3-propan-2-yl-5,8-dihydroquinoline;4-propan-2-yl-5,8-dihydroquinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;4-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;7-propan-2-yl-1,2,3,4-tetrahydro-2,6-naphthyridine;8-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine;4-propan-2-yl-5,6,7,8-tetrahydroquinazoline;4-propan-2-yl-5,6,7,8-tetrahydroquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of propane;8-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;3-propan-2-yl-5,6-dihydroquinoline;3-propan-2-yl-5,8-dihydroquinoline;4-propan-2-yl-5,8-dihydroquinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;4-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;7-propan-2-yl-1,2,3,4-tetrahydro-2,6-naphthyridine;8-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine;4-propan-2-yl-5,6,7,8-tetrahydroquinazoline;4-propan-2-yl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of propane;8-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;3-propan-2-yl-5,6-dihydroquinoline;3-propan-2-yl-5,8-dihydroquinoline;4-propan-2-yl-5,8-dihydroquinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;4-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;7-propan-2-yl-1,2,3,4-tetrahydro-2,6-naphthyridine;8-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine;4-propan-2-yl-5,6,7,8-tetrahydroquinazoline;4-propan-2-yl-5,6,7,8-tetrahydroquinoline (CID 159669888) is propane;8-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;3-propan-2-yl-5,6-dihydroquinoline;3-propan-2-yl-5,8-dihydroquinoline;4-propan-2-yl-5,8-dihydroquinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;4-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;7-propan-2-yl-1,2,3,4-tetrahydro-2,6-naphthyridine;8-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine;4-propan-2-yl-5,6,7,8-tetrahydroquinazoline;4-propan-2-yl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for propane;8-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;3-propan-2-yl-5,6-dihydroquinoline;3-propan-2-yl-5,8-dihydroquinoline;4-propan-2-yl-5,8-dihydroquinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;4-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;7-propan-2-yl-1,2,3,4-tetrahydro-2,6-naphthyridine;8-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine;4-propan-2-yl-5,6,7,8-tetrahydroquinazoline;4-propan-2-yl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for propane;8-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;3-propan-2-yl-5,6-dihydroquinoline;3-propan-2-yl-5,8-dihydroquinoline;4-propan-2-yl-5,8-dihydroquinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;4-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;7-propan-2-yl-1,2,3,4-tetrahydro-2,6-naphthyridine;8-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine;4-propan-2-yl-5,6,7,8-tetrahydroquinazoline;4-propan-2-yl-5,6,7,8-tetrahydroquinoline is CC(C)C1=CC2=C(CCCC2)C1.CC(C)c1cc2c(cn1)CCCC2.CC(C)c1cc2c(cn1)CCNC2.CC(C)c1cc2c(s1)CCCC2.CC(C)c1ccnc2c1CC=CC2.CC(C)c1ccnc2c1CCCC2.CC(C)c1ccnc2c1CNCC2.CC(C)c1cnc2c(c1)CC=CC2.CC(C)c1cnc2c(c1)CCC=C2.CC(C)c1cncc2c1NCCO2.CC(C)c1nccc2c1CNCC2.CC(C)c1ncnc2c1CCCC2.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.
What is the InChIKey of propane;8-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;3-propan-2-yl-5,6-dihydroquinoline;3-propan-2-yl-5,8-dihydroquinoline;4-propan-2-yl-5,8-dihydroquinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;4-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;7-propan-2-yl-1,2,3,4-tetrahydro-2,6-naphthyridine;8-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine;4-propan-2-yl-5,6,7,8-tetrahydroquinazoline;4-propan-2-yl-5,6,7,8-tetrahydroquinoline?
The InChIKey is MTWDXFFJRIBFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H15N.2C12H17N.C12H15N.C12H18.4C11H16N2.C11H16S.C10H14N2O.12C3H8/c2*1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;2*1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)9-3-6-13-11-4-5-12-7-10(9)11;1-8(2)11-10-7-12-5-3-9(10)4-6-13-11;1-8(2)11-5-10-6-12-4-3-9(10)7-13-11;1-8(2)11-9-5-3-4-6-10(9)12-7-13-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-5-11-6-9-10(8)12-3-4-13-9;12*1-3-2/h4,6-9H,3,5H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;2*7-9H,3-6H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;7,9H,3-6,8H2,1-2H3;3,6,8,12H,4-5,7H2,1-2H3;4,6,8,12H,3,5,7H2,1-2H3;5,7-8,12H,3-4,6H2,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;5-7,12H,3-4H2,1-2H3;12*3H2,1-2H3.
What are the key properties of propane;8-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;3-propan-2-yl-5,6-dihydroquinoline;3-propan-2-yl-5,8-dihydroquinoline;4-propan-2-yl-5,8-dihydroquinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;4-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;7-propan-2-yl-1,2,3,4-tetrahydro-2,6-naphthyridine;8-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine;4-propan-2-yl-5,6,7,8-tetrahydroquinazoline;4-propan-2-yl-5,6,7,8-tetrahydroquinoline?
propane;8-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;3-propan-2-yl-5,6-dihydroquinoline;3-propan-2-yl-5,8-dihydroquinoline;4-propan-2-yl-5,8-dihydroquinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;4-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;7-propan-2-yl-1,2,3,4-tetrahydro-2,6-naphthyridine;8-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine;4-propan-2-yl-5,6,7,8-tetrahydroquinazoline;4-propan-2-yl-5,6,7,8-tetrahydroquinoline has a molecular weight of 2625.37 g/mol, XLogP of 49.68, 12 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for propane;8-propan-2-yl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;3-propan-2-yl-5,6-dihydroquinoline;3-propan-2-yl-5,8-dihydroquinoline;4-propan-2-yl-5,8-dihydroquinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;4-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;7-propan-2-yl-1,2,3,4-tetrahydro-2,6-naphthyridine;8-propan-2-yl-1,2,3,4-tetrahydro-2,7-naphthyridine;4-propan-2-yl-5,6,7,8-tetrahydroquinazoline;4-propan-2-yl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 159669888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).