4-butyl-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide

C31H35N3O2 — CID 42657570

IUPAC4-butyl-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
SMILESCCCCc1ccc(C(=O)N(CC)C(CC)c2nc3ccccc3c(=O)n2-c2cccc(C)c2)cc1
InChIInChI=1S/C31H35N3O2/c1-5-8-13-23-17-19-24(20-18-23)30(35)33(7-3)28(6-2)29-32-27-16-10-9-15-26(27)31(36)34(29)25-14-11-12-22(4)21-25/h9-12,14-21,28H,5-8,13H2,1-4H3
InChIKeyRSJZBEYWJFBDGN-UHFFFAOYSA-N
MW481.64 g/mol
LogP6.65
Rot. Bonds9

About 4-butyl-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide

4-butyl-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide (PubChem CID 42657570) has the molecular formula C31H35N3O2 and a molecular weight of 481.64 g/mol. Its IUPAC name is 4-butyl-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide.

Molecular Properties

Compound Name4-butyl-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
PubChem CID42657570
Molecular FormulaC31H35N3O2
Molecular Weight481.64 g/mol
Exact Mass481.27
IUPAC Name4-butyl-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
SMILESCCCCc1ccc(C(=O)N(CC)C(CC)c2nc3ccccc3c(=O)n2-c2cccc(C)c2)cc1
InChIInChI=1S/C31H35N3O2/c1-5-8-13-23-17-19-24(20-18-23)30(35)33(7-3)28(6-2)29-32-27-16-10-9-15-26(27)31(36)34(29)25-14-11-12-22(4)21-25/h9-12,14-21,28H,5-8,13H2,1-4H3
InChIKeyRSJZBEYWJFBDGN-UHFFFAOYSA-N
XLogP6.65
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.64
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-4-fluoro-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 3397481
2-chloro-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 4029276
N-[(1S)-1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbutanamide
CID 7481982
N-hexyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1,3-benzodioxole-5-carboxamide
CID 42719198
4-chloro-N-(2-methoxyethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42719137
3-(2,6-dimethylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea
CID 42718682
4-tert-butyl-N-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 3941943
ethyl 4-[ethyl-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]amino]-4-oxobutanoate
CID 42719134
N-hexyl-3-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide
CID 42719199
3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea
CID 42718685
N-[2-(dimethylamino)ethyl]-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42657555
N-[2-(dimethylamino)ethyl]-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]decanamide
CID 4600532

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?
The IUPAC name of 4-butyl-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide (CID 42657570) is 4-butyl-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide.
What is the SMILES notation for 4-butyl-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?
The canonical SMILES for 4-butyl-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide is CCCCc1ccc(C(=O)N(CC)C(CC)c2nc3ccccc3c(=O)n2-c2cccc(C)c2)cc1.
What is the InChIKey of 4-butyl-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?
The InChIKey is RSJZBEYWJFBDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O2/c1-5-8-13-23-17-19-24(20-18-23)30(35)33(7-3)28(6-2)29-32-27-16-10-9-15-26(27)31(36)34(29)25-14-11-12-22(4)21-25/h9-12,14-21,28H,5-8,13H2,1-4H3.
What are the key properties of 4-butyl-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?
4-butyl-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide has a molecular weight of 481.64 g/mol, XLogP of 6.65, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide is sourced from PubChem (CID 42657570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).