N-(5-chloro-2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide

C18H16ClN3O2 — CID 6461515

IUPACN-(5-chloro-2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C18H16ClN3O2/c1-12-6-7-13(19)10-16(12)21-17(23)8-9-22-11-20-15-5-3-2-4-14(15)18(22)24/h2-7,10-11H,8-9H2,1H3,(H,21,23)
InChIKeyNRFIJOYRYTZDQA-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.39
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide

N-(5-chloro-2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 6461515) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID6461515
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-(5-chloro-2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C18H16ClN3O2/c1-12-6-7-13(19)10-16(12)21-17(23)8-9-22-11-20-15-5-3-2-4-14(15)18(22)24/h2-7,10-11H,8-9H2,1H3,(H,21,23)
InChIKeyNRFIJOYRYTZDQA-UHFFFAOYSA-N
XLogP3.39
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide (CID 6461515) is N-(5-chloro-2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide is Cc1ccc(Cl)cc1NC(=O)CCn1cnc2ccccc2c1=O.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is NRFIJOYRYTZDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-12-6-7-13(19)10-16(12)21-17(23)8-9-22-11-20-15-5-3-2-4-14(15)18(22)24/h2-7,10-11H,8-9H2,1H3,(H,21,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
N-(5-chloro-2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 341.80 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 6461515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).