N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methyl-4-pentylbenzamide

C31H35N3O3 — CID 42722999

IUPACN-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methyl-4-pentylbenzamide
SMILESCCCCCc1ccc(C(=O)N(C)C(CC)c2nc3ccccc3c(=O)n2-c2ccccc2OC)cc1
InChIInChI=1S/C31H35N3O3/c1-5-7-8-13-22-18-20-23(21-19-22)30(35)33(3)26(6-2)29-32-25-15-10-9-14-24(25)31(36)34(29)27-16-11-12-17-28(27)37-4/h9-12,14-21,26H,5-8,13H2,1-4H3
InChIKeyVTVPUQRGTCZLNK-UHFFFAOYSA-N
MW497.64 g/mol
LogP6.35
Rot. Bonds10

About N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methyl-4-pentylbenzamide

N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methyl-4-pentylbenzamide (PubChem CID 42722999) has the molecular formula C31H35N3O3 and a molecular weight of 497.64 g/mol. Its IUPAC name is N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methyl-4-pentylbenzamide.

Molecular Properties

Compound NameN-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methyl-4-pentylbenzamide
PubChem CID42722999
Molecular FormulaC31H35N3O3
Molecular Weight497.64 g/mol
Exact Mass497.27
IUPAC NameN-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methyl-4-pentylbenzamide
SMILESCCCCCc1ccc(C(=O)N(C)C(CC)c2nc3ccccc3c(=O)n2-c2ccccc2OC)cc1
InChIInChI=1S/C31H35N3O3/c1-5-7-8-13-22-18-20-23(21-19-22)30(35)33(3)26(6-2)29-32-25-15-10-9-14-24(25)31(36)34(29)27-16-11-12-17-28(27)37-4/h9-12,14-21,26H,5-8,13H2,1-4H3
InChIKeyVTVPUQRGTCZLNK-UHFFFAOYSA-N
XLogP6.35
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbenzamide
CID 42723520
N,4-diethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42723044
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-propylbenzamide
CID 42723052
N-ethyl-4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42723018
3,4-dichloro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 42723057
3-(2-methoxyphenyl)-2-[1-[3-methyl-4-(4-pentylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 4286688
4-fluoro-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methylbenzamide
CID 42719202
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methyl-N-propylbenzamide
CID 42723055
1-butyl-3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 4573937
2,4-dichloro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbenzamide
CID 42723385
2-[(1S)-1-(butylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 7236674
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 42723060

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methyl-4-pentylbenzamide?
The IUPAC name of N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methyl-4-pentylbenzamide (CID 42722999) is N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methyl-4-pentylbenzamide.
What is the SMILES notation for N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methyl-4-pentylbenzamide?
The canonical SMILES for N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methyl-4-pentylbenzamide is CCCCCc1ccc(C(=O)N(C)C(CC)c2nc3ccccc3c(=O)n2-c2ccccc2OC)cc1.
What is the InChIKey of N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methyl-4-pentylbenzamide?
The InChIKey is VTVPUQRGTCZLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O3/c1-5-7-8-13-22-18-20-23(21-19-22)30(35)33(3)26(6-2)29-32-25-15-10-9-14-24(25)31(36)34(29)27-16-11-12-17-28(27)37-4/h9-12,14-21,26H,5-8,13H2,1-4H3.
What are the key properties of N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methyl-4-pentylbenzamide?
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methyl-4-pentylbenzamide has a molecular weight of 497.64 g/mol, XLogP of 6.35, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methyl-4-pentylbenzamide is sourced from PubChem (CID 42722999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).