N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide

C17H14ClN3O3 — CID 936828

IUPACN-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2c1=O
InChIInChI=1S/C17H14ClN3O3/c1-2-21-16(23)13-8-3-10(9-14(13)20-17(21)24)15(22)19-12-6-4-11(18)5-7-12/h3-9H,2H2,1H3,(H,19,22)(H,20,24)
InChIKeyCWNBKXPFFUHTBM-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.62
Rot. Bonds3

About N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide

N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide (PubChem CID 936828) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
PubChem CID936828
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC NameN-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2c1=O
InChIInChI=1S/C17H14ClN3O3/c1-2-21-16(23)13-8-3-10(9-14(13)20-17(21)24)15(22)19-12-6-4-11(18)5-7-12/h3-9H,2H2,1H3,(H,19,22)(H,20,24)
InChIKeyCWNBKXPFFUHTBM-UHFFFAOYSA-N
XLogP2.62
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-2,4-dioxo-N-(4-piperidin-1-ylphenyl)-1H-quinazoline-7-carboxamide
CID 55810948
N-[4-(cyanomethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55813649
N-[4-(dimethylcarbamoyl)-3-methylphenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 136527414
N-(5-chloro-2,4-dimethoxyphenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55811394
N-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55811241
N-[3-(difluoromethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55849337
3-ethyl-N'-(4-fluorobenzoyl)-2,4-dioxo-1H-quinazoline-7-carbohydrazide
CID 55810946
methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 714468
N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55811527
3-ethyl-2,4-dioxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]-1H-quinazoline-7-carboxamide
CID 55851551
N-(1,1-diphenylethyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 56522577
2-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]-3-methylbutanoic acid
CID 119170339

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide (CID 936828) is N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide is CCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2c1=O.
What is the InChIKey of N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
The InChIKey is CWNBKXPFFUHTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c1-2-21-16(23)13-8-3-10(9-14(13)20-17(21)24)15(22)19-12-6-4-11(18)5-7-12/h3-9H,2H2,1H3,(H,19,22)(H,20,24).
What are the key properties of N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide has a molecular weight of 343.77 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 936828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).