4-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-8-methylquinazoline

C17H21N3 — CID 100684175

IUPAC4-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-8-methylquinazoline
SMILESCc1cccc2c(N3CC[C@H]4CCCC[C@H]43)ncnc12
InChIInChI=1S/C17H21N3/c1-12-5-4-7-14-16(12)18-11-19-17(14)20-10-9-13-6-2-3-8-15(13)20/h4-5,7,11,13,15H,2-3,6,8-10H2,1H3/t13-,15-/m1/s1
InChIKeyFDRHSNGIDHXNHE-UKRRQHHQSA-N
MW267.38 g/mol
LogP3.71
Rot. Bonds1

About 4-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-8-methylquinazoline

4-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-8-methylquinazoline (PubChem CID 100684175) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-8-methylquinazoline.

Molecular Properties

Compound Name4-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-8-methylquinazoline
PubChem CID100684175
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name4-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-8-methylquinazoline
SMILESCc1cccc2c(N3CC[C@H]4CCCC[C@H]43)ncnc12
InChIInChI=1S/C17H21N3/c1-12-5-4-7-14-16(12)18-11-19-17(14)20-10-9-13-6-2-3-8-15(13)20/h4-5,7,11,13,15H,2-3,6,8-10H2,1H3/t13-,15-/m1/s1
InChIKeyFDRHSNGIDHXNHE-UKRRQHHQSA-N
XLogP3.71
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-8-methylquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;hydrobromide
CID 158942774
[(2R)-1-(8-methylquinazolin-4-yl)piperidin-2-yl]methylurea
CID 97101931
8-methyl-4-[4-(triazol-1-yl)piperidin-1-yl]quinazoline
CID 133455600
4-[(5aR,9aS)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepin-1-yl]thieno[2,3-d]pyrimidine
CID 97255565
1-(6-chloro-5-ethylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750250
N-cyclopropyl-5-[(2S)-1-(8-methylquinazolin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129337947
4-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 129418475
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-fluoroquinazoline
CID 133425208
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 82753042
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-ethoxypyrimidin-5-amine
CID 82747186
3-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-oxobutyl]-8-methylquinazolin-4-one
CID 18132606
1-(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 18008426

Frequently Asked Questions

What is the IUPAC name of 4-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-8-methylquinazoline?
The IUPAC name of 4-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-8-methylquinazoline (CID 100684175) is 4-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-8-methylquinazoline.
What is the SMILES notation for 4-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-8-methylquinazoline?
The canonical SMILES for 4-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-8-methylquinazoline is Cc1cccc2c(N3CC[C@H]4CCCC[C@H]43)ncnc12.
What is the InChIKey of 4-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-8-methylquinazoline?
The InChIKey is FDRHSNGIDHXNHE-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H21N3/c1-12-5-4-7-14-16(12)18-11-19-17(14)20-10-9-13-6-2-3-8-15(13)20/h4-5,7,11,13,15H,2-3,6,8-10H2,1H3/t13-,15-/m1/s1.
What are the key properties of 4-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-8-methylquinazoline?
4-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-8-methylquinazoline has a molecular weight of 267.38 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-8-methylquinazoline is sourced from PubChem (CID 100684175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).