N-[3-[benzyl(thiophene-2-carbonyl)amino]propyl]-4-oxo-3H-quinazoline-2-carboxamide

C24H22N4O3S — CID 135629311

IUPACN-[3-[benzyl(thiophene-2-carbonyl)amino]propyl]-4-oxo-3H-quinazoline-2-carboxamide
SMILESO=C(NCCCN(Cc1ccccc1)C(=O)c1cccs1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C24H22N4O3S/c29-22-18-10-4-5-11-19(18)26-21(27-22)23(30)25-13-7-14-28(16-17-8-2-1-3-9-17)24(31)20-12-6-15-32-20/h1-6,8-12,15H,7,13-14,16H2,(H,25,30)(H,26,27,29)
InChIKeyIQRRVSYQUVZVIZ-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.45
Rot. Bonds8

About N-[3-[benzyl(thiophene-2-carbonyl)amino]propyl]-4-oxo-3H-quinazoline-2-carboxamide

N-[3-[benzyl(thiophene-2-carbonyl)amino]propyl]-4-oxo-3H-quinazoline-2-carboxamide (PubChem CID 135629311) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[3-[benzyl(thiophene-2-carbonyl)amino]propyl]-4-oxo-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(thiophene-2-carbonyl)amino]propyl]-4-oxo-3H-quinazoline-2-carboxamide
PubChem CID135629311
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC NameN-[3-[benzyl(thiophene-2-carbonyl)amino]propyl]-4-oxo-3H-quinazoline-2-carboxamide
SMILESO=C(NCCCN(Cc1ccccc1)C(=O)c1cccs1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C24H22N4O3S/c29-22-18-10-4-5-11-19(18)26-21(27-22)23(30)25-13-7-14-28(16-17-8-2-1-3-9-17)24(31)20-12-6-15-32-20/h1-6,8-12,15H,7,13-14,16H2,(H,25,30)(H,26,27,29)
InChIKeyIQRRVSYQUVZVIZ-UHFFFAOYSA-N
XLogP3.45
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.45
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

4-oxo-N-[3-(thiophene-2-carbonylamino)propyl]-3H-quinazoline-2-carboxamide
CID 135629197
N-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
CID 135549132
N-[3-[methyl-(2-phenylacetyl)amino]propyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658274
N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 135629189
N-[3-[(4-methoxybenzoyl)-methylamino]propyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135629300
N-benzyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide
CID 135767267
N-[3-[(2-bromobenzoyl)amino]propyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658213
N-[3-(benzenesulfonamido)propyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135629285
N-[3-[(3-chlorobenzoyl)-methylamino]propyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135629295
4-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-3H-quinazoline-2-carboxamide
CID 135629201
N-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136818121
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658789

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(thiophene-2-carbonyl)amino]propyl]-4-oxo-3H-quinazoline-2-carboxamide?
The IUPAC name of N-[3-[benzyl(thiophene-2-carbonyl)amino]propyl]-4-oxo-3H-quinazoline-2-carboxamide (CID 135629311) is N-[3-[benzyl(thiophene-2-carbonyl)amino]propyl]-4-oxo-3H-quinazoline-2-carboxamide.
What is the SMILES notation for N-[3-[benzyl(thiophene-2-carbonyl)amino]propyl]-4-oxo-3H-quinazoline-2-carboxamide?
The canonical SMILES for N-[3-[benzyl(thiophene-2-carbonyl)amino]propyl]-4-oxo-3H-quinazoline-2-carboxamide is O=C(NCCCN(Cc1ccccc1)C(=O)c1cccs1)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[3-[benzyl(thiophene-2-carbonyl)amino]propyl]-4-oxo-3H-quinazoline-2-carboxamide?
The InChIKey is IQRRVSYQUVZVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c29-22-18-10-4-5-11-19(18)26-21(27-22)23(30)25-13-7-14-28(16-17-8-2-1-3-9-17)24(31)20-12-6-15-32-20/h1-6,8-12,15H,7,13-14,16H2,(H,25,30)(H,26,27,29).
What are the key properties of N-[3-[benzyl(thiophene-2-carbonyl)amino]propyl]-4-oxo-3H-quinazoline-2-carboxamide?
N-[3-[benzyl(thiophene-2-carbonyl)amino]propyl]-4-oxo-3H-quinazoline-2-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(thiophene-2-carbonyl)amino]propyl]-4-oxo-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 135629311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).