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

C18H16ClN3O3 — CID 1085003

IUPACN-(5-chloro-2-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C18H16ClN3O3/c1-25-16-7-6-12(19)10-15(16)21-17(23)8-9-22-11-20-14-5-3-2-4-13(14)18(22)24/h2-7,10-11H,8-9H2,1H3,(H,21,23)
InChIKeyUICHXDMXNNFWGW-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.09
Rot. Bonds5

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

N-(5-chloro-2-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 1085003) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID1085003
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C18H16ClN3O3/c1-25-16-7-6-12(19)10-15(16)21-17(23)8-9-22-11-20-14-5-3-2-4-13(14)18(22)24/h2-7,10-11H,8-9H2,1H3,(H,21,23)
InChIKeyUICHXDMXNNFWGW-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

Erastin
CID 11214940
2-ethyl-3-(2-methoxyphenyl)quinazolin-4(3H)-one
CID 754087
4-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 2741842
N-(2-Methoxy-5-methylphenyl)-3-[2-(4-oxo-3,4-dihydroquinazolin-3-YL)acetamido]propanamide
CID 15994104
N-(5-chloro-2-methoxyphenyl)-2-[3-[2-(2-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 155322902
3(4H)-Quinazolineacetamide, N-(4-methoxyphenyl)-4-oxo-
CID 670909
N-cyclopropyl-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2595322
N-(2-Methoxy-5-methylphenyl)-12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-B]quinazoline-3-carboxamide
CID 2684697
N~1~-(5-chloro-2,4-dimethoxyphenyl)-N~1~-methyl-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
CID 3238155
2-({3-[2-(acetylamino)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}thio)-N-(2-methoxyphenyl)acetamide
CID 3239034
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 3515101
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-N,N-dimethylbenzamide
CID 10716502

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide (CID 1085003) is N-(5-chloro-2-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide is COc1ccc(Cl)cc1NC(=O)CCn1cnc2ccccc2c1=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is UICHXDMXNNFWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-25-16-7-6-12(19)10-15(16)21-17(23)8-9-22-11-20-14-5-3-2-4-13(14)18(22)24/h2-7,10-11H,8-9H2,1H3,(H,21,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
N-(5-chloro-2-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-(5-chloro-2-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 1085003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).