bis(8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine);5-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;7-propan-2-yl-[1,3]dioxolo[4,5-d]pyrimidine;4-propan-2-yl-5,6,7,8-tetrahydroquinoline

C72H97N9O9 — CID 157389489

IUPACbis(8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine);5-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;7-propan-2-yl-[1,3]dioxolo[4,5-d]pyrimidine;4-propan-2-yl-5,6,7,8-tetrahydroquinoline
SMILESCC(C)c1ccnc2c1CCCC2.CC(C)c1ccnc2c1CCCO2.CC(C)c1ccnc2c1OCCC2.CC(C)c1ccnc2c1OCCN2.CC(C)c1ccnc2c1OCCO2.CC(C)c1ccnc2c1OCCO2.CC(C)c1ncnc2c1OCO2
InChIInChI=1S/C12H17N.2C11H15NO.C10H14N2O.2C10H13NO2.C8H10N2O2/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-5-6-12-10-4-3-7-13-11(9)10;1-8(2)9-5-6-12-11-10(9)4-3-7-13-11;1-7(2)8-3-4-11-10-9(8)13-6-5-12-10;2*1-7(2)8-3-4-11-10-9(8)12-5-6-13-10;1-5(2)6-7-8(10-3-9-6)12-4-11-7/h7-9H,3-6H2,1-2H3;2*5-6,8H,3-4,7H2,1-2H3;3-4,7H,5-6H2,1-2H3,(H,11,12);2*3-4,7H,5-6H2,1-2H3;3,5H,4H2,1-2H3
InChIKeyBLVHDMXPYNQJAP-UHFFFAOYSA-N
MW1232.62 g/mol
LogP15.43
Rot. Bonds7

About bis(8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine);5-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;7-propan-2-yl-[1,3]dioxolo[4,5-d]pyrimidine;4-propan-2-yl-5,6,7,8-tetrahydroquinoline

bis(8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine);5-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;7-propan-2-yl-[1,3]dioxolo[4,5-d]pyrimidine;4-propan-2-yl-5,6,7,8-tetrahydroquinoline (PubChem CID 157389489) has the molecular formula C72H97N9O9 and a molecular weight of 1232.62 g/mol. Its IUPAC name is bis(8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine);5-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;7-propan-2-yl-[1,3]dioxolo[4,5-d]pyrimidine;4-propan-2-yl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Namebis(8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine);5-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;7-propan-2-yl-[1,3]dioxolo[4,5-d]pyrimidine;4-propan-2-yl-5,6,7,8-tetrahydroquinoline
PubChem CID157389489
Molecular FormulaC72H97N9O9
Molecular Weight1232.62 g/mol
Exact Mass1231.74
IUPAC Namebis(8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine);5-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;7-propan-2-yl-[1,3]dioxolo[4,5-d]pyrimidine;4-propan-2-yl-5,6,7,8-tetrahydroquinoline
SMILESCC(C)c1ccnc2c1CCCC2.CC(C)c1ccnc2c1CCCO2.CC(C)c1ccnc2c1OCCC2.CC(C)c1ccnc2c1OCCN2.CC(C)c1ccnc2c1OCCO2.CC(C)c1ccnc2c1OCCO2.CC(C)c1ncnc2c1OCO2
InChIInChI=1S/C12H17N.2C11H15NO.C10H14N2O.2C10H13NO2.C8H10N2O2/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-5-6-12-10-4-3-7-13-11(9)10;1-8(2)9-5-6-12-11-10(9)4-3-7-13-11;1-7(2)8-3-4-11-10-9(8)13-6-5-12-10;2*1-7(2)8-3-4-11-10-9(8)12-5-6-13-10;1-5(2)6-7-8(10-3-9-6)12-4-11-7/h7-9H,3-6H2,1-2H3;2*5-6,8H,3-4,7H2,1-2H3;3-4,7H,5-6H2,1-2H3,(H,11,12);2*3-4,7H,5-6H2,1-2H3;3,5H,4H2,1-2H3
InChIKeyBLVHDMXPYNQJAP-UHFFFAOYSA-N
XLogP15.43
TPSA198.22 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds7
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001232.62
LogP ≤ 515.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze bis(8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine);5-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;7-propan-2-yl-[1,3]dioxolo[4,5-d]pyrimidine;4-propan-2-yl-5,6,7,8-tetrahydroquinoline with MolForge

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Launch Full Analysis

Related Compounds

N-[(1R)-1-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-2-methylpropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 172472001
6-[5-(difluoromethoxy)-6-methyl-3-pyridinyl]-N-[(2S)-2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)propyl]pyrimidin-4-amine
CID 89868871
6-(6-amino-5-fluoro-3-pyridinyl)-N-[(2S)-2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)propyl]pyrimidin-4-amine
CID 89868892
6-[5-(difluoromethoxy)-3-pyridinyl]-N-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)propyl]pyrimidin-4-amine
CID 89868999
N-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)propyl]-6-(8-fluoroquinolin-6-yl)pyrimidin-4-amine
CID 118033880
N-[(2S)-2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)propyl]-6-(5-fluoro-6-methoxy-3-pyridinyl)pyrimidin-4-amine
CID 118982597
N-[(2S)-2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)propyl]-6-(6-fluoro-5-methyl-3-pyridinyl)pyrimidin-4-amine
CID 118982599
N-[(2S)-2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)propyl]-6-(8-fluoroquinolin-6-yl)pyrimidin-4-amine
CID 118982613
6-[5-(difluoromethoxy)-3-pyridinyl]-N-[(2S)-2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)propyl]pyrimidin-4-amine
CID 118982617
N-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-(8-fluoroquinolin-6-yl)pyrimidin-4-amine
CID 118982639
N-[(2S)-2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)propyl]-6-[8-(trifluoromethyl)quinolin-6-yl]pyrimidin-4-amine
CID 121440458
N-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-2-methylbutyl]-6-(6-fluoro-5-methyl-3-pyridinyl)pyrimidin-4-amine
CID 123375947

Frequently Asked Questions

What is the IUPAC name of bis(8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine);5-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;7-propan-2-yl-[1,3]dioxolo[4,5-d]pyrimidine;4-propan-2-yl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of bis(8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine);5-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;7-propan-2-yl-[1,3]dioxolo[4,5-d]pyrimidine;4-propan-2-yl-5,6,7,8-tetrahydroquinoline (CID 157389489) is bis(8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine);5-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;7-propan-2-yl-[1,3]dioxolo[4,5-d]pyrimidine;4-propan-2-yl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for bis(8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine);5-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;7-propan-2-yl-[1,3]dioxolo[4,5-d]pyrimidine;4-propan-2-yl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for bis(8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine);5-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;7-propan-2-yl-[1,3]dioxolo[4,5-d]pyrimidine;4-propan-2-yl-5,6,7,8-tetrahydroquinoline is CC(C)c1ccnc2c1CCCC2.CC(C)c1ccnc2c1CCCO2.CC(C)c1ccnc2c1OCCC2.CC(C)c1ccnc2c1OCCN2.CC(C)c1ccnc2c1OCCO2.CC(C)c1ccnc2c1OCCO2.CC(C)c1ncnc2c1OCO2.
What is the InChIKey of bis(8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine);5-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;7-propan-2-yl-[1,3]dioxolo[4,5-d]pyrimidine;4-propan-2-yl-5,6,7,8-tetrahydroquinoline?
The InChIKey is BLVHDMXPYNQJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.2C11H15NO.C10H14N2O.2C10H13NO2.C8H10N2O2/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-5-6-12-10-4-3-7-13-11(9)10;1-8(2)9-5-6-12-11-10(9)4-3-7-13-11;1-7(2)8-3-4-11-10-9(8)13-6-5-12-10;2*1-7(2)8-3-4-11-10-9(8)12-5-6-13-10;1-5(2)6-7-8(10-3-9-6)12-4-11-7/h7-9H,3-6H2,1-2H3;2*5-6,8H,3-4,7H2,1-2H3;3-4,7H,5-6H2,1-2H3,(H,11,12);2*3-4,7H,5-6H2,1-2H3;3,5H,4H2,1-2H3.
What are the key properties of bis(8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine);5-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;7-propan-2-yl-[1,3]dioxolo[4,5-d]pyrimidine;4-propan-2-yl-5,6,7,8-tetrahydroquinoline?
bis(8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine);5-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;7-propan-2-yl-[1,3]dioxolo[4,5-d]pyrimidine;4-propan-2-yl-5,6,7,8-tetrahydroquinoline has a molecular weight of 1232.62 g/mol, XLogP of 15.43, 7 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine);5-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;8-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;7-propan-2-yl-[1,3]dioxolo[4,5-d]pyrimidine;4-propan-2-yl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 157389489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).