2-[(cyclohexylamino)methyl]-3-phenylquinazolin-4-one

C21H23N3O — CID 12547467

IUPAC2-[(cyclohexylamino)methyl]-3-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(CNC2CCCCC2)n1-c1ccccc1
InChIInChI=1S/C21H23N3O/c25-21-18-13-7-8-14-19(18)23-20(15-22-16-9-3-1-4-10-16)24(21)17-11-5-2-6-12-17/h2,5-8,11-14,16,22H,1,3-4,9-10,15H2
InChIKeyQRQUZJAUFUJISA-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.81
Rot. Bonds4

About 2-[(cyclohexylamino)methyl]-3-phenylquinazolin-4-one

2-[(cyclohexylamino)methyl]-3-phenylquinazolin-4-one (PubChem CID 12547467) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-[(cyclohexylamino)methyl]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[(cyclohexylamino)methyl]-3-phenylquinazolin-4-one
PubChem CID12547467
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-[(cyclohexylamino)methyl]-3-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(CNC2CCCCC2)n1-c1ccccc1
InChIInChI=1S/C21H23N3O/c25-21-18-13-7-8-14-19(18)23-20(15-22-16-9-3-1-4-10-16)24(21)17-11-5-2-6-12-17/h2,5-8,11-14,16,22H,1,3-4,9-10,15H2
InChIKeyQRQUZJAUFUJISA-UHFFFAOYSA-N
XLogP3.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]urea
CID 110294926
2-ethyl-3-phenylquinazolin-4-one
CID 719985
3-phenyl-2-(pyridin-1-ium-1-ylmethyl)quinazolin-4-one
CID 739394
2-(4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
CID 122540146
N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]cyclohexanecarboxamide
CID 110351985
3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one
CID 12631795
2-[2-(dimethylamino)ethyl]-3-phenylquinazolin-4-one
CID 3239245
N-[(1-phenyltetrazol-5-yl)methyl]cyclooctanamine
CID 60673062
2-(azepan-1-ylmethyl)-3-(4-fluorophenyl)quinazolin-4-one
CID 991488
2-ethoxy-3-phenylquinazolin-4-one
CID 71404213
N-cyclohexyl-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
CID 655418
N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]acetamide
CID 110294904

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclohexylamino)methyl]-3-phenylquinazolin-4-one?
The IUPAC name of 2-[(cyclohexylamino)methyl]-3-phenylquinazolin-4-one (CID 12547467) is 2-[(cyclohexylamino)methyl]-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[(cyclohexylamino)methyl]-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[(cyclohexylamino)methyl]-3-phenylquinazolin-4-one is O=c1c2ccccc2nc(CNC2CCCCC2)n1-c1ccccc1.
What is the InChIKey of 2-[(cyclohexylamino)methyl]-3-phenylquinazolin-4-one?
The InChIKey is QRQUZJAUFUJISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c25-21-18-13-7-8-14-19(18)23-20(15-22-16-9-3-1-4-10-16)24(21)17-11-5-2-6-12-17/h2,5-8,11-14,16,22H,1,3-4,9-10,15H2.
What are the key properties of 2-[(cyclohexylamino)methyl]-3-phenylquinazolin-4-one?
2-[(cyclohexylamino)methyl]-3-phenylquinazolin-4-one has a molecular weight of 333.44 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclohexylamino)methyl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 12547467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).