6-(cyclohexylmethyl)-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one

C20H26N2O — CID 171485764

IUPAC6-(cyclohexylmethyl)-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
SMILESCc1ccc2nc3n(c(=O)c2c1)CCCC3CC1CCCCC1
InChIInChI=1S/C20H26N2O/c1-14-9-10-18-17(12-14)20(23)22-11-5-8-16(19(22)21-18)13-15-6-3-2-4-7-15/h9-10,12,15-16H,2-8,11,13H2,1H3
InChIKeyDDDYOFDJQOSJBN-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.55
Rot. Bonds2

About 6-(cyclohexylmethyl)-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one

6-(cyclohexylmethyl)-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one (PubChem CID 171485764) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 6-(cyclohexylmethyl)-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name6-(cyclohexylmethyl)-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
PubChem CID171485764
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name6-(cyclohexylmethyl)-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
SMILESCc1ccc2nc3n(c(=O)c2c1)CCCC3CC1CCCCC1
InChIInChI=1S/C20H26N2O/c1-14-9-10-18-17(12-14)20(23)22-11-5-8-16(19(22)21-18)13-15-6-3-2-4-7-15/h9-10,12,15-16H,2-8,11,13H2,1H3
InChIKeyDDDYOFDJQOSJBN-UHFFFAOYSA-N
XLogP4.55
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 730195
8-methyl-1,2,3,4-tetrahydropyrimido[2,1-b]quinazolin-6-one
CID 136826742
7-methyl-2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one
CID 118482542
6-[bis(4-methoxyphenyl)phosphorylmethyl]-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
CID 166527168
7-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-ol
CID 115022614
2-chloro-3-(cyclohexylmethyl)-4-fluoro-6-methylquinoline
CID 138637038
6-(1-phenylethylamino)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
CID 22048047
3-hydroxy-7-methoxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 23872051
4-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)-6-methylquinoline
CID 167260845
N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
CID 46484188
(4aR,13bR)-4-methyl-8-oxo-2,3,4a,5,6,13b-hexahydro-1H-1,6-naphthyridino[5,6-b]quinazoline-10-carbonitrile
CID 176751933
7-fluoro-3-(1-phenylethylamino)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 22048051

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylmethyl)-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 6-(cyclohexylmethyl)-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one (CID 171485764) is 6-(cyclohexylmethyl)-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 6-(cyclohexylmethyl)-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 6-(cyclohexylmethyl)-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one is Cc1ccc2nc3n(c(=O)c2c1)CCCC3CC1CCCCC1.
What is the InChIKey of 6-(cyclohexylmethyl)-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one?
The InChIKey is DDDYOFDJQOSJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-14-9-10-18-17(12-14)20(23)22-11-5-8-16(19(22)21-18)13-15-6-3-2-4-7-15/h9-10,12,15-16H,2-8,11,13H2,1H3.
What are the key properties of 6-(cyclohexylmethyl)-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one?
6-(cyclohexylmethyl)-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one has a molecular weight of 310.44 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethyl)-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 171485764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).