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

C19H18ClN3O3 — CID 55811527

IUPACN-[1-(3-chlorophenyl)ethyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)NC(C)c3cccc(Cl)c3)ccc2c1=O
InChIInChI=1S/C19H18ClN3O3/c1-3-23-18(25)15-8-7-13(10-16(15)22-19(23)26)17(24)21-11(2)12-5-4-6-14(20)9-12/h4-11H,3H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyRHENTYWLYBVGBB-UHFFFAOYSA-N
MW371.82 g/mol
LogP2.85
Rot. Bonds4

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

N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide (PubChem CID 55811527) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
PubChem CID55811527
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)NC(C)c3cccc(Cl)c3)ccc2c1=O
InChIInChI=1S/C19H18ClN3O3/c1-3-23-18(25)15-8-7-13(10-16(15)22-19(23)26)17(24)21-11(2)12-5-4-6-14(20)9-12/h4-11H,3H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyRHENTYWLYBVGBB-UHFFFAOYSA-N
XLogP2.85
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55811241
3-ethyl-4-oxo-N-[(1R)-1-phenylethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 27660271
3-ethyl-2,4-dioxo-N-[(1R)-1-thiophen-2-ylethyl]-1H-quinazoline-7-carboxamide
CID 94132682
2-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]-3-methylbutanoic acid
CID 119170339
N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 936828
3-ethyl-N'-(4-fluorobenzoyl)-2,4-dioxo-1H-quinazoline-7-carbohydrazide
CID 55810946
3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxamide;hydrochloride
CID 120650490
3-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55818543
methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 714468
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide
CID 7944591
3-ethyl-N-(5-methylhexan-2-yl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 134061413
3-ethyl-2,4-dioxo-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-1H-quinazoline-7-carboxamide
CID 52508013

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide (CID 55811527) is N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide is CCn1c(=O)[nH]c2cc(C(=O)NC(C)c3cccc(Cl)c3)ccc2c1=O.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
The InChIKey is RHENTYWLYBVGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-3-23-18(25)15-8-7-13(10-16(15)22-19(23)26)17(24)21-11(2)12-5-4-6-14(20)9-12/h4-11H,3H2,1-2H3,(H,21,24)(H,22,26).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide has a molecular weight of 371.82 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 55811527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).