N-(3-chloro-4-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide

C18H16ClN3O3 — CID 4903088

IUPACN-(3-chloro-4-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCOc1ccc(NC(=O)CCn2cnc3ccccc3c2=O)cc1Cl
InChIInChI=1S/C18H16ClN3O3/c1-25-16-7-6-12(10-14(16)19)21-17(23)8-9-22-11-20-15-5-3-2-4-13(15)18(22)24/h2-7,10-11H,8-9H2,1H3,(H,21,23)
InChIKeyVNJVTYCJCYTLOS-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.09
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide

N-(3-chloro-4-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 4903088) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID4903088
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCOc1ccc(NC(=O)CCn2cnc3ccccc3c2=O)cc1Cl
InChIInChI=1S/C18H16ClN3O3/c1-25-16-7-6-12(10-14(16)19)21-17(23)8-9-22-11-20-15-5-3-2-4-13(15)18(22)24/h2-7,10-11H,8-9H2,1H3,(H,21,23)
InChIKeyVNJVTYCJCYTLOS-UHFFFAOYSA-N
XLogP3.09
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 26835382
N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4905328
N-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 2974265
3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 36842808
N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 16573190
N-(3-methylsulfonylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 33158076
2-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 7741631
N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 32606845
methyl 4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzoate
CID 39377823
N-(3-chloro-4-methoxyphenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4908651
N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 26059200
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 46426810

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide (CID 4903088) is N-(3-chloro-4-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide is COc1ccc(NC(=O)CCn2cnc3ccccc3c2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is VNJVTYCJCYTLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-25-16-7-6-12(10-14(16)19)21-17(23)8-9-22-11-20-15-5-3-2-4-13(15)18(22)24/h2-7,10-11H,8-9H2,1H3,(H,21,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
N-(3-chloro-4-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 357.80 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 4903088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).