N-(3,4-dichlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide

C17H13Cl2N3O2 — CID 2203181

IUPACN-(3,4-dichlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H13Cl2N3O2/c18-13-6-5-11(9-14(13)19)21-16(23)7-8-22-10-20-15-4-2-1-3-12(15)17(22)24/h1-6,9-10H,7-8H2,(H,21,23)
InChIKeyAEJLIBFPRXTDDN-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.73
Rot. Bonds4

About N-(3,4-dichlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide

N-(3,4-dichlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 2203181) has the molecular formula C17H13Cl2N3O2 and a molecular weight of 362.22 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID2203181
Molecular FormulaC17H13Cl2N3O2
Molecular Weight362.22 g/mol
Exact Mass361.04
IUPAC NameN-(3,4-dichlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H13Cl2N3O2/c18-13-6-5-11(9-14(13)19)21-16(23)7-8-22-10-20-15-4-2-1-3-12(15)17(22)24/h1-6,9-10H,7-8H2,(H,21,23)
InChIKeyAEJLIBFPRXTDDN-UHFFFAOYSA-N
XLogP3.73
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide (CID 2203181) is N-(3,4-dichlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide is O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is AEJLIBFPRXTDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2/c18-13-6-5-11(9-14(13)19)21-16(23)7-8-22-10-20-15-4-2-1-3-12(15)17(22)24/h1-6,9-10H,7-8H2,(H,21,23).
What are the key properties of N-(3,4-dichlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
N-(3,4-dichlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 362.22 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 2203181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).