N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

C23H18ClN3O3 — CID 137284840

IUPACN-[2-(2-chlorophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccccc1Oc1ccccc1Cl
InChIInChI=1S/C23H18ClN3O3/c24-16-8-2-5-11-19(16)30-20-12-6-4-10-18(20)26-22(28)14-13-21-25-17-9-3-1-7-15(17)23(29)27-21/h1-12H,13-14H2,(H,26,28)(H,25,27,29)
InChIKeyPJRJTNCDVZQVLD-UHFFFAOYSA-N
MW419.87 g/mol
LogP4.94
Rot. Bonds6

About N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 137284840) 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-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID137284840
Molecular FormulaC23H18ClN3O3
Molecular Weight419.87 g/mol
Exact Mass419.10
IUPAC NameN-[2-(2-chlorophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccccc1Oc1ccccc1Cl
InChIInChI=1S/C23H18ClN3O3/c24-16-8-2-5-11-19(16)30-20-12-6-4-10-18(20)26-22(28)14-13-21-25-17-9-3-1-7-15(17)23(29)27-21/h1-12H,13-14H2,(H,26,28)(H,25,27,29)
InChIKeyPJRJTNCDVZQVLD-UHFFFAOYSA-N
XLogP4.94
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135830175
N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137258775
N-(3-hydroxy-2-pyridinyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711256
N-[1-(2-chlorophenyl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135993503
N-(3-chloro-2,6-diethylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135972253
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137299581
3-(4-oxo-3H-quinazolin-2-yl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide
CID 137278290
N-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135724863
N-(4-bromo-2-fluorophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135767542
N-[4-(4-bromophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135893495
3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide
CID 135687166
N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 16573190

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 137284840) is N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccccc1Oc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is PJRJTNCDVZQVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c24-16-8-2-5-11-19(16)30-20-12-6-4-10-18(20)26-22(28)14-13-21-25-17-9-3-1-7-15(17)23(29)27-21/h1-12H,13-14H2,(H,26,28)(H,25,27,29).
What are the key properties of N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 419.87 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 137284840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).