N-(3-imidazol-1-ylpropyl)-4-oxo-3H-quinazoline-2-carboxamide

C15H15N5O2 — CID 135654270

IUPACN-(3-imidazol-1-ylpropyl)-4-oxo-3H-quinazoline-2-carboxamide
SMILESO=C(NCCCn1ccnc1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H15N5O2/c21-14-11-4-1-2-5-12(11)18-13(19-14)15(22)17-6-3-8-20-9-7-16-10-20/h1-2,4-5,7,9-10H,3,6,8H2,(H,17,22)(H,18,19,21)
InChIKeyGPAHENDFYHUUFY-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.94
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-4-oxo-3H-quinazoline-2-carboxamide

N-(3-imidazol-1-ylpropyl)-4-oxo-3H-quinazoline-2-carboxamide (PubChem CID 135654270) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-oxo-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-oxo-3H-quinazoline-2-carboxamide
PubChem CID135654270
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-oxo-3H-quinazoline-2-carboxamide
SMILESO=C(NCCCn1ccnc1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H15N5O2/c21-14-11-4-1-2-5-12(11)18-13(19-14)15(22)17-6-3-8-20-9-7-16-10-20/h1-2,4-5,7,9-10H,3,6,8H2,(H,17,22)(H,18,19,21)
InChIKeyGPAHENDFYHUUFY-UHFFFAOYSA-N
XLogP0.94
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 135629189
2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
CID 29432371
4-oxo-N-[3-(thiophene-2-carbonylamino)propyl]-3H-quinazoline-2-carboxamide
CID 135629197
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658789
2-(2,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methylquinoline-4-carboxamide
CID 3682044
2-(4-ethylphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
CID 4606860
2-(3-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
CID 17372668
N-(3-imidazol-1-ylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474998
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51162140
N-(3-imidazol-1-ylpropyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 9460938
N-[3-[methyl-(2-phenylacetyl)amino]propyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658274

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-4-oxo-3H-quinazoline-2-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-oxo-3H-quinazoline-2-carboxamide (CID 135654270) is N-(3-imidazol-1-ylpropyl)-4-oxo-3H-quinazoline-2-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-oxo-3H-quinazoline-2-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-oxo-3H-quinazoline-2-carboxamide is O=C(NCCCn1ccnc1)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-oxo-3H-quinazoline-2-carboxamide?
The InChIKey is GPAHENDFYHUUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c21-14-11-4-1-2-5-12(11)18-13(19-14)15(22)17-6-3-8-20-9-7-16-10-20/h1-2,4-5,7,9-10H,3,6,8H2,(H,17,22)(H,18,19,21).
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-oxo-3H-quinazoline-2-carboxamide?
N-(3-imidazol-1-ylpropyl)-4-oxo-3H-quinazoline-2-carboxamide has a molecular weight of 297.32 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-4-oxo-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 135654270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).