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

C23H27N3O2 — CID 142655013

IUPAC3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-c2nc3ccccc3c(=O)n2CC2CCCC(CN)C2)cc1
InChIInChI=1S/C23H27N3O2/c1-28-19-11-9-18(10-12-19)22-25-21-8-3-2-7-20(21)23(27)26(22)15-17-6-4-5-16(13-17)14-24/h2-3,7-12,16-17H,4-6,13-15,24H2,1H3
InChIKeyQNNQPCJDHFSOLZ-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.84
Rot. Bonds5

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

3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)quinazolin-4-one (PubChem CID 142655013) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)quinazolin-4-one
PubChem CID142655013
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-c2nc3ccccc3c(=O)n2CC2CCCC(CN)C2)cc1
InChIInChI=1S/C23H27N3O2/c1-28-19-11-9-18(10-12-19)22-25-21-8-3-2-7-20(21)23(27)26(22)15-17-6-4-5-16(13-17)14-24/h2-3,7-12,16-17H,4-6,13-15,24H2,1H3
InChIKeyQNNQPCJDHFSOLZ-UHFFFAOYSA-N
XLogP3.84
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)-6-methylquinazolin-4-one
CID 22058118
3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(3-chlorophenyl)quinazolin-4-one
CID 142655017
3-[[3-(aminomethyl)cyclohexyl]methyl]-7-chloro-2-(3-chlorophenyl)quinazolin-4-one
CID 22058136
3-[[3-(aminomethyl)cyclohexyl]methyl]-6-chloro-2-naphthalen-1-ylquinazolin-4-one
CID 70109487
3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one
CID 17035993
3-(3-aminopropyl)-2-[4-(2,4-dimethoxyphenyl)phenyl]quinazolin-4-one
CID 22484567
2-(4-methoxyphenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]quinazolin-4-one
CID 2041529
2-[4-(2-chloro-4-methoxyphenyl)phenyl]-3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]quinazolin-4-one
CID 57415407
3-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 3534114
2-(4-methoxyphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 829457
[2-(4-methoxyphenyl)-4-oxoquinazolin-3-yl] ethanesulfonate
CID 18737613
3-[2-[2,6-di(propan-2-yl)phenoxy]ethyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 2004073

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)quinazolin-4-one (CID 142655013) is 3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)quinazolin-4-one is COc1ccc(-c2nc3ccccc3c(=O)n2CC2CCCC(CN)C2)cc1.
What is the InChIKey of 3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)quinazolin-4-one?
The InChIKey is QNNQPCJDHFSOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-28-19-11-9-18(10-12-19)22-25-21-8-3-2-7-20(21)23(27)26(22)15-17-6-4-5-16(13-17)14-24/h2-3,7-12,16-17H,4-6,13-15,24H2,1H3.
What are the key properties of 3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)quinazolin-4-one?
3-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)quinazolin-4-one has a molecular weight of 377.49 g/mol, XLogP of 3.84, 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)quinazolin-4-one is sourced from PubChem (CID 142655013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).