N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide

C25H22N4O3 — CID 135658789

IUPACN-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide
SMILESO=C(NCCNC(=O)C(c1ccccc1)c1ccccc1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C25H22N4O3/c30-23-19-13-7-8-14-20(19)28-22(29-23)25(32)27-16-15-26-24(31)21(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,21H,15-16H2,(H,26,31)(H,27,32)(H,28,29,30)
InChIKeyZZYRYQBPGBWGTM-UHFFFAOYSA-N
MW426.48 g/mol
LogP2.60
Rot. Bonds7

About N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide

N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide (PubChem CID 135658789) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide
PubChem CID135658789
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC NameN-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide
SMILESO=C(NCCNC(=O)C(c1ccccc1)c1ccccc1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C25H22N4O3/c30-23-19-13-7-8-14-20(19)28-22(29-23)25(32)27-16-15-26-24(31)21(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,21H,15-16H2,(H,26,31)(H,27,32)(H,28,29,30)
InChIKeyZZYRYQBPGBWGTM-UHFFFAOYSA-N
XLogP2.60
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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
4-oxo-N-(1-phenylethyl)-3H-quinazoline-2-carboxamide
CID 135653744
4-oxo-N-[2-[(2-phenoxyacetyl)amino]ethyl]-3H-quinazoline-2-carboxamide
CID 135658727
N-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135638515
N-(2-hydroxy-4-methylpentyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 136790311
4-oxo-N-phenyl-3H-quinazoline-2-carboxamide
CID 135794299
N-[3-[(2-bromobenzoyl)amino]propyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658213
N-(1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide
CID 136759238
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-(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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide?
The IUPAC name of N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide (CID 135658789) is N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide.
What is the SMILES notation for N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide?
The canonical SMILES for N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide is O=C(NCCNC(=O)C(c1ccccc1)c1ccccc1)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide?
The InChIKey is ZZYRYQBPGBWGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c30-23-19-13-7-8-14-20(19)28-22(29-23)25(32)27-16-15-26-24(31)21(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,21H,15-16H2,(H,26,31)(H,27,32)(H,28,29,30).
What are the key properties of N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide?
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 2.60, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 135658789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).