3-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-oxobutyl]-8-methylquinazolin-4-one

C22H29N3O2 — CID 18132606

IUPAC3-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-oxobutyl]-8-methylquinazolin-4-one
SMILESCc1cccc2c(=O)n(CCCC(=O)N3CCCC4CCCCC43)cnc12
InChIInChI=1S/C22H29N3O2/c1-16-7-4-10-18-21(16)23-15-24(22(18)27)13-6-12-20(26)25-14-5-9-17-8-2-3-11-19(17)25/h4,7,10,15,17,19H,2-3,5-6,8-9,11-14H2,1H3
InChIKeyAMGKUJZQXHMAJN-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.67
Rot. Bonds4

About 3-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-oxobutyl]-8-methylquinazolin-4-one

3-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-oxobutyl]-8-methylquinazolin-4-one (PubChem CID 18132606) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-oxobutyl]-8-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-oxobutyl]-8-methylquinazolin-4-one
PubChem CID18132606
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name3-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-oxobutyl]-8-methylquinazolin-4-one
SMILESCc1cccc2c(=O)n(CCCC(=O)N3CCCC4CCCCC43)cnc12
InChIInChI=1S/C22H29N3O2/c1-16-7-4-10-18-21(16)23-15-24(22(18)27)13-6-12-20(26)25-14-5-9-17-8-2-3-11-19(17)25/h4,7,10,15,17,19H,2-3,5-6,8-9,11-14H2,1H3
InChIKeyAMGKUJZQXHMAJN-UHFFFAOYSA-N
XLogP3.67
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-oxobutyl]-8-methylquinazolin-4-one 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

3-[3-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-3-oxopropyl]-8-methylquinazolin-4-one
CID 94486962
8-methyl-3-[3-oxo-3-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propyl]quinazolin-4-one
CID 95585347
4-(8-methyl-4-oxoquinazolin-3-yl)butanoate
CID 9167242
N-(1-acetylpiperidin-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 47015246
3-[3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-oxopropyl]-8-methylquinazolin-4-one
CID 34467348
8-methyl-3-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]quinazolin-4-one
CID 46685317
8-methyl-3-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 119544609
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 51272641
3-[4-[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-4-oxobutyl]quinazolin-4-one
CID 47078514
3-[3-[3-(2-hydroxyethyl)morpholin-4-yl]-3-oxopropyl]-8-methylquinazolin-4-one
CID 136518869
3-[3-(1,4-diazepan-1-yl)-3-oxopropyl]-8-methylquinazolin-4-one;hydrochloride
CID 119416183
diethyl 2-[4-(8-methyl-4-oxoquinazolin-3-yl)butanoylamino]propanedioate
CID 33254183

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-oxobutyl]-8-methylquinazolin-4-one?
The IUPAC name of 3-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-oxobutyl]-8-methylquinazolin-4-one (CID 18132606) is 3-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-oxobutyl]-8-methylquinazolin-4-one.
What is the SMILES notation for 3-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-oxobutyl]-8-methylquinazolin-4-one?
The canonical SMILES for 3-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-oxobutyl]-8-methylquinazolin-4-one is Cc1cccc2c(=O)n(CCCC(=O)N3CCCC4CCCCC43)cnc12.
What is the InChIKey of 3-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-oxobutyl]-8-methylquinazolin-4-one?
The InChIKey is AMGKUJZQXHMAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16-7-4-10-18-21(16)23-15-24(22(18)27)13-6-12-20(26)25-14-5-9-17-8-2-3-11-19(17)25/h4,7,10,15,17,19H,2-3,5-6,8-9,11-14H2,1H3.
What are the key properties of 3-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-oxobutyl]-8-methylquinazolin-4-one?
3-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-oxobutyl]-8-methylquinazolin-4-one has a molecular weight of 367.49 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-oxobutyl]-8-methylquinazolin-4-one is sourced from PubChem (CID 18132606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).