N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide

C11H12N4O2 — CID 135629189

IUPACN-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide
SMILESNCCNC(=O)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C11H12N4O2/c12-5-6-13-11(17)9-14-8-4-2-1-3-7(8)10(16)15-9/h1-4H,5-6,12H2,(H,13,17)(H,14,15,16)
InChIKeyBTYPOPQKQUZBHM-UHFFFAOYSA-N
MW232.24 g/mol
LogP-0.39
Rot. Bonds3

About N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide

N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide (PubChem CID 135629189) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide
PubChem CID135629189
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide
SMILESNCCNC(=O)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C11H12N4O2/c12-5-6-13-11(17)9-14-8-4-2-1-3-7(8)10(16)15-9/h1-4H,5-6,12H2,(H,13,17)(H,14,15,16)
InChIKeyBTYPOPQKQUZBHM-UHFFFAOYSA-N
XLogP-0.39
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658789
N-[3-[(2-bromobenzoyl)amino]propyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658213
4-oxo-N-[2-[(2-phenoxyacetyl)amino]ethyl]-3H-quinazoline-2-carboxamide
CID 135658727
N-[3-(benzenesulfonamido)propyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135629285
4-oxo-N-[3-(thiophene-2-carbonylamino)propyl]-3H-quinazoline-2-carboxamide
CID 135629197
N-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135638515
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136759246
4-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-3H-quinazoline-2-carboxamide
CID 135629201
N-[3-[methyl-(2-phenylacetyl)amino]propyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658274
4-oxo-N-phenyl-3H-quinazoline-2-carboxamide
CID 135794299
4-oxo-N-(pyridin-2-ylmethyl)-3H-quinazoline-2-carboxamide
CID 135654390
N-(3-imidazol-1-ylpropyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 135654270

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide (CID 135629189) is N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide is NCCNC(=O)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide?
The InChIKey is BTYPOPQKQUZBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c12-5-6-13-11(17)9-14-8-4-2-1-3-7(8)10(16)15-9/h1-4H,5-6,12H2,(H,13,17)(H,14,15,16).
What are the key properties of N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide?
N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide has a molecular weight of 232.24 g/mol, XLogP of -0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 135629189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).