N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide

C18H16ClN3O2 — CID 1301490

IUPACN-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O2/c19-14-7-5-13(6-8-14)11-20-17(23)9-10-22-12-21-16-4-2-1-3-15(16)18(22)24/h1-8,12H,9-11H2,(H,20,23)
InChIKeyRITXEYILDRCMDF-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.76
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide

N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 1301490) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID1301490
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O2/c19-14-7-5-13(6-8-14)11-20-17(23)9-10-22-12-21-16-4-2-1-3-15(16)18(22)24/h1-8,12H,9-11H2,(H,20,23)
InChIKeyRITXEYILDRCMDF-UHFFFAOYSA-N
XLogP2.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 34487848
N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 75489122
3-(4-oxoquinazolin-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 55729811
4-chloro-N-[2-[4-(4-oxoquinazolin-3-yl)butanoylamino]ethyl]benzamide
CID 30753783
3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 26835386
N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
CID 119502460
N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 90537872
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 121196726
N-[3-(3-chlorophenyl)prop-2-ynyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 90548339
3-(benzimidazol-1-yl)-N-benzylpropanamide
CID 4972644
N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 91818526
N-[(4-chlorophenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 46414369

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide (CID 1301490) is N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide is O=C(CCn1cnc2ccccc2c1=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is RITXEYILDRCMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c19-14-7-5-13(6-8-14)11-20-17(23)9-10-22-12-21-16-4-2-1-3-15(16)18(22)24/h1-8,12H,9-11H2,(H,20,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 341.80 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 1301490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).