6-(3-chlorophenyl)-4-oxo-N-(3-phenylpropyl)-3H-quinazoline-7-carboxamide

C24H20ClN3O2 — CID 156788055

IUPAC6-(3-chlorophenyl)-4-oxo-N-(3-phenylpropyl)-3H-quinazoline-7-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cc2nc[nH]c(=O)c2cc1-c1cccc(Cl)c1
InChIInChI=1S/C24H20ClN3O2/c25-18-10-4-9-17(12-18)19-13-21-22(27-15-28-24(21)30)14-20(19)23(29)26-11-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-10,12-15H,5,8,11H2,(H,26,29)(H,27,28,30)
InChIKeyGZNXPDGIPHXVMJ-UHFFFAOYSA-N
MW417.90 g/mol
LogP4.61
Rot. Bonds6

About 6-(3-chlorophenyl)-4-oxo-N-(3-phenylpropyl)-3H-quinazoline-7-carboxamide

6-(3-chlorophenyl)-4-oxo-N-(3-phenylpropyl)-3H-quinazoline-7-carboxamide (PubChem CID 156788055) has the molecular formula C24H20ClN3O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-4-oxo-N-(3-phenylpropyl)-3H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name6-(3-chlorophenyl)-4-oxo-N-(3-phenylpropyl)-3H-quinazoline-7-carboxamide
PubChem CID156788055
Molecular FormulaC24H20ClN3O2
Molecular Weight417.90 g/mol
Exact Mass417.12
IUPAC Name6-(3-chlorophenyl)-4-oxo-N-(3-phenylpropyl)-3H-quinazoline-7-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cc2nc[nH]c(=O)c2cc1-c1cccc(Cl)c1
InChIInChI=1S/C24H20ClN3O2/c25-18-10-4-9-17(12-18)19-13-21-22(27-15-28-24(21)30)14-20(19)23(29)26-11-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-10,12-15H,5,8,11H2,(H,26,29)(H,27,28,30)
InChIKeyGZNXPDGIPHXVMJ-UHFFFAOYSA-N
XLogP4.61
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-(3-phenylpropyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 58692643
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CID 110772427
3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide
CID 51366175
4-chloro-N-(4-phenylbutyl)benzamide
CID 2057490
5-chloro-2-hydroxy-N-[2-(4-phenylphenyl)ethyl]benzamide
CID 90932345
7-[2-(3-chlorophenyl)ethylamino]-6-nitro-3H-quinazolin-4-one
CID 137289206
2-(3-methoxyphenyl)-5-phenylmethoxy-N-(3-phenylpropyl)benzamide
CID 16663907
2-N-(3-chlorophenyl)-5-N-(3-phenylpropyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353792
2,5-dimethyl-N-(3-phenylpropyl)benzamide
CID 2202785
2-amino-5-phenyl-N-(4-phenylbutyl)thiophene-3-carboxamide
CID 134146525
[2-oxo-2-(3-phenylpropylamino)ethyl] 3-chlorobenzoate
CID 2504142
2-[2,6-bis(3-chloro-4-fluorophenyl)-4-(8-phenyloctylcarbamoyl)phenoxy]acetic acid
CID 22237699

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-4-oxo-N-(3-phenylpropyl)-3H-quinazoline-7-carboxamide?
The IUPAC name of 6-(3-chlorophenyl)-4-oxo-N-(3-phenylpropyl)-3H-quinazoline-7-carboxamide (CID 156788055) is 6-(3-chlorophenyl)-4-oxo-N-(3-phenylpropyl)-3H-quinazoline-7-carboxamide.
What is the SMILES notation for 6-(3-chlorophenyl)-4-oxo-N-(3-phenylpropyl)-3H-quinazoline-7-carboxamide?
The canonical SMILES for 6-(3-chlorophenyl)-4-oxo-N-(3-phenylpropyl)-3H-quinazoline-7-carboxamide is O=C(NCCCc1ccccc1)c1cc2nc[nH]c(=O)c2cc1-c1cccc(Cl)c1.
What is the InChIKey of 6-(3-chlorophenyl)-4-oxo-N-(3-phenylpropyl)-3H-quinazoline-7-carboxamide?
The InChIKey is GZNXPDGIPHXVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O2/c25-18-10-4-9-17(12-18)19-13-21-22(27-15-28-24(21)30)14-20(19)23(29)26-11-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-10,12-15H,5,8,11H2,(H,26,29)(H,27,28,30).
What are the key properties of 6-(3-chlorophenyl)-4-oxo-N-(3-phenylpropyl)-3H-quinazoline-7-carboxamide?
6-(3-chlorophenyl)-4-oxo-N-(3-phenylpropyl)-3H-quinazoline-7-carboxamide has a molecular weight of 417.90 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-4-oxo-N-(3-phenylpropyl)-3H-quinazoline-7-carboxamide is sourced from PubChem (CID 156788055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).