2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one

C23H21N3O — CID 135848591

IUPAC2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
SMILESCN(Cc1ccc(-c2ccccc2)cc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C23H21N3O/c1-26(16-22-24-21-10-6-5-9-20(21)23(27)25-22)15-17-11-13-19(14-12-17)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,24,25,27)
InChIKeyCETJIGFGUWQHHH-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.22
Rot. Bonds5

About 2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one

2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one (PubChem CID 135848591) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
PubChem CID135848591
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
SMILESCN(Cc1ccc(-c2ccccc2)cc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C23H21N3O/c1-26(16-22-24-21-10-6-5-9-20(21)23(27)25-22)15-17-11-13-19(14-12-17)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,24,25,27)
InChIKeyCETJIGFGUWQHHH-UHFFFAOYSA-N
XLogP4.22
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135512157
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135890821
2-[[methyl-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135687482
2-[[(2-chlorophenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135891137
2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
CID 162424449
2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135579792
N,N-dimethyl-3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzenesulfonamide
CID 135535644
2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135756594
2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135811807
N-methyl-2-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135875449
2-[[2-methoxyethyl-[(4-methylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135750965
7-chloro-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135811769

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one (CID 135848591) is 2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one is CN(Cc1ccc(-c2ccccc2)cc1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one?
The InChIKey is CETJIGFGUWQHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-26(16-22-24-21-10-6-5-9-20(21)23(27)25-22)15-17-11-13-19(14-12-17)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,24,25,27).
What are the key properties of 2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one?
2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one has a molecular weight of 355.44 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135848591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).