2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-ylisoquinoline;8-propan-2-yl-1,7-naphthyridine

C34H40N4 — CID 159848824

IUPAC2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-ylisoquinoline;8-propan-2-yl-1,7-naphthyridine
SMILESCC(C)c1ccc2c(n1)CCC2.CC(C)c1nccc2ccccc12.CC(C)c1nccc2cccnc12
InChIInChI=1S/C12H13N.C11H12N2.C11H15N/c1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-8(2)10-11-9(5-7-13-10)4-3-6-12-11;1-8(2)10-7-6-9-4-3-5-11(9)12-10/h3-9H,1-2H3;3-8H,1-2H3;6-8H,3-5H2,1-2H3
InChIKeyNPQUNKSMUXSCNE-UHFFFAOYSA-N
MW504.72 g/mol
LogP8.81
Rot. Bonds3

About 2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-ylisoquinoline;8-propan-2-yl-1,7-naphthyridine

2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-ylisoquinoline;8-propan-2-yl-1,7-naphthyridine (PubChem CID 159848824) has the molecular formula C34H40N4 and a molecular weight of 504.72 g/mol. Its IUPAC name is 2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-ylisoquinoline;8-propan-2-yl-1,7-naphthyridine.

Molecular Properties

Compound Name2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-ylisoquinoline;8-propan-2-yl-1,7-naphthyridine
PubChem CID159848824
Molecular FormulaC34H40N4
Molecular Weight504.72 g/mol
Exact Mass504.33
IUPAC Name2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-ylisoquinoline;8-propan-2-yl-1,7-naphthyridine
SMILESCC(C)c1ccc2c(n1)CCC2.CC(C)c1nccc2ccccc12.CC(C)c1nccc2cccnc12
InChIInChI=1S/C12H13N.C11H12N2.C11H15N/c1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-8(2)10-11-9(5-7-13-10)4-3-6-12-11;1-8(2)10-7-6-9-4-3-5-11(9)12-10/h3-9H,1-2H3;3-8H,1-2H3;6-8H,3-5H2,1-2H3
InChIKeyNPQUNKSMUXSCNE-UHFFFAOYSA-N
XLogP8.81
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.72
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline
CID 155733442
benzo[h]quinoline;naphthalene
CID 175017782
isoquinolin-1-ylmethanediol
CID 57261748
(1R,2R)-1,2-di(isoquinolin-1-yl)ethane-1,2-diol
CID 125479415
CID 87856781
CID 87856781
12-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene
CID 175984451
2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine;hydrate
CID 145188493
1-(5,6,7,8-tetrahydroquinolin-2-yl)ethylhydrazine
CID 130591043
1,8-di(propan-2-yl)-2,7-naphthyridine
CID 170669033
2-isoquinolin-1-yl-N,3-dimethylbutan-1-amine
CID 116995264
phenyl(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol
CID 15007046
6-methyl-10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline
CID 11426561

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-ylisoquinoline;8-propan-2-yl-1,7-naphthyridine?
The IUPAC name of 2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-ylisoquinoline;8-propan-2-yl-1,7-naphthyridine (CID 159848824) is 2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-ylisoquinoline;8-propan-2-yl-1,7-naphthyridine.
What is the SMILES notation for 2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-ylisoquinoline;8-propan-2-yl-1,7-naphthyridine?
The canonical SMILES for 2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-ylisoquinoline;8-propan-2-yl-1,7-naphthyridine is CC(C)c1ccc2c(n1)CCC2.CC(C)c1nccc2ccccc12.CC(C)c1nccc2cccnc12.
What is the InChIKey of 2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-ylisoquinoline;8-propan-2-yl-1,7-naphthyridine?
The InChIKey is NPQUNKSMUXSCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.C11H12N2.C11H15N/c1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-8(2)10-11-9(5-7-13-10)4-3-6-12-11;1-8(2)10-7-6-9-4-3-5-11(9)12-10/h3-9H,1-2H3;3-8H,1-2H3;6-8H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-ylisoquinoline;8-propan-2-yl-1,7-naphthyridine?
2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-ylisoquinoline;8-propan-2-yl-1,7-naphthyridine has a molecular weight of 504.72 g/mol, XLogP of 8.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-ylisoquinoline;8-propan-2-yl-1,7-naphthyridine is sourced from PubChem (CID 159848824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).