N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide

C23H18ClN3O3 — CID 16573190

IUPACN-[2-(2-chlorophenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)Nc1ccccc1Oc1ccccc1Cl
InChIInChI=1S/C23H18ClN3O3/c24-17-8-2-5-11-20(17)30-21-12-6-4-10-19(21)26-22(28)13-14-27-15-25-18-9-3-1-7-16(18)23(27)29/h1-12,15H,13-14H2,(H,26,28)
InChIKeyVIINJYLVDFTYDR-UHFFFAOYSA-N
MW419.87 g/mol
LogP4.87
Rot. Bonds6

About N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide

N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 16573190) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID16573190
Molecular FormulaC23H18ClN3O3
Molecular Weight419.87 g/mol
Exact Mass419.10
IUPAC NameN-[2-(2-chlorophenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)Nc1ccccc1Oc1ccccc1Cl
InChIInChI=1S/C23H18ClN3O3/c24-17-8-2-5-11-20(17)30-21-12-6-4-10-19(21)26-22(28)13-14-27-15-25-18-9-3-1-7-16(18)23(27)29/h1-12,15H,13-14H2,(H,26,28)
InChIKeyVIINJYLVDFTYDR-UHFFFAOYSA-N
XLogP4.87
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylphenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 27147986
N-[2-(difluoromethoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 27147340
N-[2-(2-chlorophenoxy)phenyl]-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 30292543
3-(4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 4870595
N-(3-chloro-4-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4903088
2-(2-chlorophenoxy)ethyl 3-(4-oxoquinazolin-3-yl)propanoate
CID 46661027
3-(4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide
CID 52546822
N-(4-methyl-2-propoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 55902104
N-(2,5-dichlorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 46666719
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide
CID 31301273
N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4905328
[2-(2,6-dichloroanilino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate
CID 33356940

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide (CID 16573190) is N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide is O=C(CCn1cnc2ccccc2c1=O)Nc1ccccc1Oc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is VIINJYLVDFTYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c24-17-8-2-5-11-20(17)30-21-12-6-4-10-19(21)26-22(28)13-14-27-15-25-18-9-3-1-7-16(18)23(27)29/h1-12,15H,13-14H2,(H,26,28).
What are the key properties of N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide?
N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 419.87 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 16573190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).