3-ethyl-2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-quinazoline-7-carboxamide;hydrochloride

C19H27ClN4O3 — CID 119823619

IUPAC3-ethyl-2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-quinazoline-7-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1ccc2c(=O)n(CC)c(=O)[nH]c2c1)C1CCNCC1.Cl
InChIInChI=1S/C19H26N4O3.ClH/c1-3-11-23(14-7-9-20-10-8-14)17(24)13-5-6-15-16(12-13)21-19(26)22(4-2)18(15)25;/h5-6,12,14,20H,3-4,7-11H2,1-2H3,(H,21,26);1H
InChIKeyDJQISYTVSYWZMN-UHFFFAOYSA-N
MW394.90 g/mol
LogP1.74
Rot. Bonds5

About 3-ethyl-2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-quinazoline-7-carboxamide;hydrochloride

3-ethyl-2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-quinazoline-7-carboxamide;hydrochloride (PubChem CID 119823619) has the molecular formula C19H27ClN4O3 and a molecular weight of 394.90 g/mol. Its IUPAC name is 3-ethyl-2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-quinazoline-7-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-ethyl-2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-quinazoline-7-carboxamide;hydrochloride
PubChem CID119823619
Molecular FormulaC19H27ClN4O3
Molecular Weight394.90 g/mol
Exact Mass394.18
IUPAC Name3-ethyl-2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-quinazoline-7-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1ccc2c(=O)n(CC)c(=O)[nH]c2c1)C1CCNCC1.Cl
InChIInChI=1S/C19H26N4O3.ClH/c1-3-11-23(14-7-9-20-10-8-14)17(24)13-5-6-15-16(12-13)21-19(26)22(4-2)18(15)25;/h5-6,12,14,20H,3-4,7-11H2,1-2H3,(H,21,26);1H
InChIKeyDJQISYTVSYWZMN-UHFFFAOYSA-N
XLogP1.74
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-quinazoline-7-carboxamide;hydrochloride with MolForge

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Related Compounds

1-cyclopentyl-2-oxo-N-propyl-N-pyrrolidin-3-yl-3H-benzimidazole-5-carboxamide;hydrochloride
CID 119532706
N-butyl-3-ethyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 78897733
3-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propyl-1H-quinazoline-7-carboxamide
CID 60504091
3-ethyl-N-methyl-N-(3-methylbutyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 87016169
3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
CID 61408528
4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
1-methyl-2-oxo-N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 103813162
N-(2,3-dihydro-1H-inden-1-yl)-3-ethyl-N-methyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 71940191
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 714468
3-(methylsulfinylmethyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823512

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-quinazoline-7-carboxamide;hydrochloride?
The IUPAC name of 3-ethyl-2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-quinazoline-7-carboxamide;hydrochloride (CID 119823619) is 3-ethyl-2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-quinazoline-7-carboxamide;hydrochloride.
What is the SMILES notation for 3-ethyl-2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-quinazoline-7-carboxamide;hydrochloride?
The canonical SMILES for 3-ethyl-2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-quinazoline-7-carboxamide;hydrochloride is CCCN(C(=O)c1ccc2c(=O)n(CC)c(=O)[nH]c2c1)C1CCNCC1.Cl.
What is the InChIKey of 3-ethyl-2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-quinazoline-7-carboxamide;hydrochloride?
The InChIKey is DJQISYTVSYWZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3.ClH/c1-3-11-23(14-7-9-20-10-8-14)17(24)13-5-6-15-16(12-13)21-19(26)22(4-2)18(15)25;/h5-6,12,14,20H,3-4,7-11H2,1-2H3,(H,21,26);1H.
What are the key properties of 3-ethyl-2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-quinazoline-7-carboxamide;hydrochloride?
3-ethyl-2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-quinazoline-7-carboxamide;hydrochloride has a molecular weight of 394.90 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-quinazoline-7-carboxamide;hydrochloride is sourced from PubChem (CID 119823619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).