3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)-6-methylquinazolin-4-one

C24H29N3O2 — CID 22058118

IUPAC3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)-6-methylquinazolin-4-one
SMILESCOc1ccc(-c2nc3ccc(C)cc3c(=O)n2CC2CCCC(CN)C2)cc1
InChIInChI=1S/C24H29N3O2/c1-16-6-11-22-21(12-16)24(28)27(15-18-5-3-4-17(13-18)14-25)23(26-22)19-7-9-20(29-2)10-8-19/h6-12,17-18H,3-5,13-15,25H2,1-2H3
InChIKeyGAOODRLLPOUWNW-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.15
Rot. Bonds5

About 3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)-6-methylquinazolin-4-one

3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)-6-methylquinazolin-4-one (PubChem CID 22058118) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)-6-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)-6-methylquinazolin-4-one
PubChem CID22058118
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)-6-methylquinazolin-4-one
SMILESCOc1ccc(-c2nc3ccc(C)cc3c(=O)n2CC2CCCC(CN)C2)cc1
InChIInChI=1S/C24H29N3O2/c1-16-6-11-22-21(12-16)24(28)27(15-18-5-3-4-17(13-18)14-25)23(26-22)19-7-9-20(29-2)10-8-19/h6-12,17-18H,3-5,13-15,25H2,1-2H3
InChIKeyGAOODRLLPOUWNW-UHFFFAOYSA-N
XLogP4.15
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)-6-methylquinazolin-4-one with MolForge

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Related Compounds

3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 142655013
3-[[3-(aminomethyl)cyclohexyl]methyl]-7-chloro-2-(4-methylphenyl)quinazolin-4-one
CID 22058167
3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(3-chlorophenyl)quinazolin-4-one
CID 142655017
3-[[3-(aminomethyl)cyclohexyl]methyl]-6-chloro-2-naphthalen-1-ylquinazolin-4-one
CID 70109487
3-[[3-(aminomethyl)cyclohexyl]methyl]-7-chloro-2-(3-chlorophenyl)quinazolin-4-one
CID 22058136
3-[[1-(2-cyclobutylpropyl)piperidin-3-yl]methyl]-6-(4-hydroxyphenyl)-2-[4-(trifluoromethoxy)phenyl]quinazolin-4-one
CID 143175243
2-(4-methoxyphenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]quinazolin-4-one
CID 2041529
3-(3-aminopropyl)-2-cyclohexyl-6-methoxyquinazolin-4-one
CID 22484801
3-(2-methoxyethyl)-2-(4-methoxyphenyl)-6-nitroquinazolin-4-one
CID 162429363
3-(3-aminopropyl)-7-chloro-2-(4-methoxyphenyl)quinazolin-4-one
CID 22484625
8-methoxy-2-methylpyrido[2,1-b]quinazolin-11-one
CID 151157986
3-(3-aminopropyl)-2-[4-(2,4-dimethoxyphenyl)phenyl]quinazolin-4-one
CID 22484567

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)-6-methylquinazolin-4-one?
The IUPAC name of 3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)-6-methylquinazolin-4-one (CID 22058118) is 3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)-6-methylquinazolin-4-one.
What is the SMILES notation for 3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)-6-methylquinazolin-4-one?
The canonical SMILES for 3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)-6-methylquinazolin-4-one is COc1ccc(-c2nc3ccc(C)cc3c(=O)n2CC2CCCC(CN)C2)cc1.
What is the InChIKey of 3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)-6-methylquinazolin-4-one?
The InChIKey is GAOODRLLPOUWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-16-6-11-22-21(12-16)24(28)27(15-18-5-3-4-17(13-18)14-25)23(26-22)19-7-9-20(29-2)10-8-19/h6-12,17-18H,3-5,13-15,25H2,1-2H3.
What are the key properties of 3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)-6-methylquinazolin-4-one?
3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)-6-methylquinazolin-4-one has a molecular weight of 391.52 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)-6-methylquinazolin-4-one is sourced from PubChem (CID 22058118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).