1-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]cycloheptane-1-carboxylic acid

C19H23N3O5 — CID 120539179

IUPAC1-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESCCn1c(=O)[nH]c2cc(C(=O)NC3(C(=O)O)CCCCCC3)ccc2c1=O
InChIInChI=1S/C19H23N3O5/c1-2-22-16(24)13-8-7-12(11-14(13)20-18(22)27)15(23)21-19(17(25)26)9-5-3-4-6-10-19/h7-8,11H,2-6,9-10H2,1H3,(H,20,27)(H,21,23)(H,25,26)
InChIKeyNJRBKBMNSWEKFO-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.62
Rot. Bonds4

About 1-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]cycloheptane-1-carboxylic acid

1-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 120539179) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is 1-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]cycloheptane-1-carboxylic acid
PubChem CID120539179
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name1-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESCCn1c(=O)[nH]c2cc(C(=O)NC3(C(=O)O)CCCCCC3)ccc2c1=O
InChIInChI=1S/C19H23N3O5/c1-2-22-16(24)13-8-7-12(11-14(13)20-18(22)27)15(23)21-19(17(25)26)9-5-3-4-6-10-19/h7-8,11H,2-6,9-10H2,1H3,(H,20,27)(H,21,23)(H,25,26)
InChIKeyNJRBKBMNSWEKFO-UHFFFAOYSA-N
XLogP1.62
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]cycloheptane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-N'-(4-fluorobenzoyl)-2,4-dioxo-1H-quinazoline-7-carbohydrazide
CID 55810946
3-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 136580955
methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 714468
1-[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120512737
N-(1,1-diphenylethyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 56522577
N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 936828
1-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 45427860
N-(5-chloro-2,4-dimethoxyphenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55811394
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
3-ethyl-2,4-dioxo-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-1H-quinazoline-7-carboxamide
CID 52508013
N-[4-(dimethylcarbamoyl)-3-methylphenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 136527414

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]cycloheptane-1-carboxylic acid (CID 120539179) is 1-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]cycloheptane-1-carboxylic acid is CCn1c(=O)[nH]c2cc(C(=O)NC3(C(=O)O)CCCCCC3)ccc2c1=O.
What is the InChIKey of 1-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is NJRBKBMNSWEKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-2-22-16(24)13-8-7-12(11-14(13)20-18(22)27)15(23)21-19(17(25)26)9-5-3-4-6-10-19/h7-8,11H,2-6,9-10H2,1H3,(H,20,27)(H,21,23)(H,25,26).
What are the key properties of 1-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]cycloheptane-1-carboxylic acid?
1-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 373.41 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 120539179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).