4-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)-N-ethylbenzamide

C18H16ClN3O2 — CID 139721575

IUPAC4-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(-c2nc3cc(Cl)ccc3c(=O)n2C)cc1
InChIInChI=1S/C18H16ClN3O2/c1-3-20-17(23)12-6-4-11(5-7-12)16-21-15-10-13(19)8-9-14(15)18(24)22(16)2/h4-10H,3H2,1-2H3,(H,20,23)
InChIKeySGTOWGSJOGXYHJ-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.00
Rot. Bonds3

About 4-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)-N-ethylbenzamide

4-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)-N-ethylbenzamide (PubChem CID 139721575) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 4-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)-N-ethylbenzamide.

Molecular Properties

Compound Name4-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)-N-ethylbenzamide
PubChem CID139721575
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name4-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(-c2nc3cc(Cl)ccc3c(=O)n2C)cc1
InChIInChI=1S/C18H16ClN3O2/c1-3-20-17(23)12-6-4-11(5-7-12)16-21-15-10-13(19)8-9-14(15)18(24)22(16)2/h4-10H,3H2,1-2H3,(H,20,23)
InChIKeySGTOWGSJOGXYHJ-UHFFFAOYSA-N
XLogP3.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-2-(4-ethylsulfanylphenyl)-3-methylquinazolin-4-one
CID 139721579
4-(6-chloro-1H-benzimidazol-2-yl)-N-ethylbenzamide
CID 100579654
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide
CID 2488330
2-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate
CID 7174444
methyl 3-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 139769291
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-4-methylbenzamide
CID 42728218
4-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide
CID 54585029
N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]-4-ethylbenzamide
CID 23740001
N-ethyl-4-[1-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]benzamide
CID 50825657
7-chloro-3-methyl-2-[(1R)-1-(2-methylpropylamino)ethyl]quinazolin-4-one
CID 769633
3-(3-aminopropyl)-7-chloro-2-(4-methoxyphenyl)quinazolin-4-one
CID 22484625
N-ethyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
CID 22551018

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)-N-ethylbenzamide?
The IUPAC name of 4-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)-N-ethylbenzamide (CID 139721575) is 4-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)-N-ethylbenzamide.
What is the SMILES notation for 4-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)-N-ethylbenzamide?
The canonical SMILES for 4-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)-N-ethylbenzamide is CCNC(=O)c1ccc(-c2nc3cc(Cl)ccc3c(=O)n2C)cc1.
What is the InChIKey of 4-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)-N-ethylbenzamide?
The InChIKey is SGTOWGSJOGXYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-3-20-17(23)12-6-4-11(5-7-12)16-21-15-10-13(19)8-9-14(15)18(24)22(16)2/h4-10H,3H2,1-2H3,(H,20,23).
What are the key properties of 4-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)-N-ethylbenzamide?
4-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)-N-ethylbenzamide has a molecular weight of 341.80 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)-N-ethylbenzamide is sourced from PubChem (CID 139721575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).