N-[(4-chlorophenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)butanamide

C25H22ClN3O2 — CID 46414369

IUPACN-[(4-chlorophenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)butanamide
SMILESO=C(CCCn1cnc2ccccc2c1=O)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C25H22ClN3O2/c26-20-14-12-19(13-15-20)24(18-7-2-1-3-8-18)28-23(30)11-6-16-29-17-27-22-10-5-4-9-21(22)25(29)31/h1-5,7-10,12-15,17,24H,6,11,16H2,(H,28,30)
InChIKeyLAPCWNYKEPMFTE-UHFFFAOYSA-N
MW431.92 g/mol
LogP4.74
Rot. Bonds7

About N-[(4-chlorophenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)butanamide

N-[(4-chlorophenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)butanamide (PubChem CID 46414369) has the molecular formula C25H22ClN3O2 and a molecular weight of 431.92 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)butanamide
PubChem CID46414369
Molecular FormulaC25H22ClN3O2
Molecular Weight431.92 g/mol
Exact Mass431.14
IUPAC NameN-[(4-chlorophenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)butanamide
SMILESO=C(CCCn1cnc2ccccc2c1=O)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C25H22ClN3O2/c26-20-14-12-19(13-15-20)24(18-7-2-1-3-8-18)28-23(30)11-6-16-29-17-27-22-10-5-4-9-21(22)25(29)31/h1-5,7-10,12-15,17,24H,6,11,16H2,(H,28,30)
InChIKeyLAPCWNYKEPMFTE-UHFFFAOYSA-N
XLogP4.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 118986181
N-(2,5-dichlorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 46666719
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 16573183
4-chloro-N-[2-[4-(4-oxoquinazolin-3-yl)butanoylamino]ethyl]benzamide
CID 30753783
N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 1301490
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 51951513
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 51873542
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 27146493
N-[1-(3-hydroxycyclobutyl)propyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 91790449
3-(4-oxoquinazolin-3-yl)propyl 4-chlorobenzoate
CID 30338391
N-[furan-2-yl(phenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 51202356
3-(4-aminobutyl)quinazolin-4-one
CID 28823941

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)butanamide (CID 46414369) is N-[(4-chlorophenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for N-[(4-chlorophenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for N-[(4-chlorophenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)butanamide is O=C(CCCn1cnc2ccccc2c1=O)NC(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)butanamide?
The InChIKey is LAPCWNYKEPMFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2/c26-20-14-12-19(13-15-20)24(18-7-2-1-3-8-18)28-23(30)11-6-16-29-17-27-22-10-5-4-9-21(22)25(29)31/h1-5,7-10,12-15,17,24H,6,11,16H2,(H,28,30).
What are the key properties of N-[(4-chlorophenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)butanamide?
N-[(4-chlorophenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)butanamide has a molecular weight of 431.92 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 46414369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).