3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxamide;hydrochloride

C16H23ClN4O3 — CID 120650490

IUPAC3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1ccc2c(=O)n(CC)c(=O)[nH]c2c1.Cl
InChIInChI=1S/C16H22N4O3.ClH/c1-4-17-10(3)9-18-14(21)11-6-7-12-13(8-11)19-16(23)20(5-2)15(12)22;/h6-8,10,17H,4-5,9H2,1-3H3,(H,18,21)(H,19,23);1H/t10-;/m1./s1
InChIKeyNNJQQOLICCYCFS-HNCPQSOCSA-N
MW354.84 g/mol
LogP0.86
Rot. Bonds6

About 3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxamide;hydrochloride

3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxamide;hydrochloride (PubChem CID 120650490) has the molecular formula C16H23ClN4O3 and a molecular weight of 354.84 g/mol. Its IUPAC name is 3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxamide;hydrochloride
PubChem CID120650490
Molecular FormulaC16H23ClN4O3
Molecular Weight354.84 g/mol
Exact Mass354.15
IUPAC Name3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1ccc2c(=O)n(CC)c(=O)[nH]c2c1.Cl
InChIInChI=1S/C16H22N4O3.ClH/c1-4-17-10(3)9-18-14(21)11-6-7-12-13(8-11)19-16(23)20(5-2)15(12)22;/h6-8,10,17H,4-5,9H2,1-3H3,(H,18,21)(H,19,23);1H/t10-;/m1./s1
InChIKeyNNJQQOLICCYCFS-HNCPQSOCSA-N
XLogP0.86
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxamide;hydrochloride with MolForge

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Related Compounds

1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 120653143
2-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]-3-methylbutanoic acid
CID 119170339
3-ethyl-N'-(4-fluorobenzoyl)-2,4-dioxo-1H-quinazoline-7-carbohydrazide
CID 55810946
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
3-ethyl-2,4-dioxo-N-[(1R)-1-thiophen-2-ylethyl]-1H-quinazoline-7-carboxamide
CID 94132682
3-ethyl-N-[2-(furan-2-yl)ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 47051903
N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 936828
N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55811527
N-(1,1-diphenylethyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 56522577
3-ethyl-N-methyl-N-(3-methylbutyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 87016169
N-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55811241

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxamide;hydrochloride?
The IUPAC name of 3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxamide;hydrochloride (CID 120650490) is 3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxamide;hydrochloride.
What is the SMILES notation for 3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxamide;hydrochloride?
The canonical SMILES for 3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxamide;hydrochloride is CCN[C@H](C)CNC(=O)c1ccc2c(=O)n(CC)c(=O)[nH]c2c1.Cl.
What is the InChIKey of 3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxamide;hydrochloride?
The InChIKey is NNJQQOLICCYCFS-HNCPQSOCSA-N. The full InChI is InChI=1S/C16H22N4O3.ClH/c1-4-17-10(3)9-18-14(21)11-6-7-12-13(8-11)19-16(23)20(5-2)15(12)22;/h6-8,10,17H,4-5,9H2,1-3H3,(H,18,21)(H,19,23);1H/t10-;/m1./s1.
What are the key properties of 3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxamide;hydrochloride?
3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxamide;hydrochloride has a molecular weight of 354.84 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxamide;hydrochloride is sourced from PubChem (CID 120650490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).