N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-phenylethyl)benzamide

C34H33N3O2 — CID 3897517

IUPACN-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-phenylethyl)benzamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1)N(CCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C34H33N3O2/c1-4-31(36(22-21-26-13-7-5-8-14-26)33(38)27-15-9-6-10-16-27)32-35-30-18-12-11-17-29(30)34(39)37(32)28-20-19-24(2)25(3)23-28/h5-20,23,31H,4,21-22H2,1-3H3
InChIKeyZMDUENBEJSQVEN-UHFFFAOYSA-N
MW515.66 g/mol
LogP6.84
Rot. Bonds8

About N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-phenylethyl)benzamide

N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-phenylethyl)benzamide (PubChem CID 3897517) has the molecular formula C34H33N3O2 and a molecular weight of 515.66 g/mol. Its IUPAC name is N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-phenylethyl)benzamide
PubChem CID3897517
Molecular FormulaC34H33N3O2
Molecular Weight515.66 g/mol
Exact Mass515.26
IUPAC NameN-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-phenylethyl)benzamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1)N(CCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C34H33N3O2/c1-4-31(36(22-21-26-13-7-5-8-14-26)33(38)27-15-9-6-10-16-27)32-35-30-18-12-11-17-29(30)34(39)37(32)28-20-19-24(2)25(3)23-28/h5-20,23,31H,4,21-22H2,1-3H3
InChIKeyZMDUENBEJSQVEN-UHFFFAOYSA-N
XLogP6.84
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.66
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-phenylethyl)benzamide
CID 3969732
N-benzyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]naphthalene-2-carboxamide
CID 5227003
N-butyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methoxybenzamide
CID 3891922
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 3920095
1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-(2-methoxyphenyl)-1-(2-phenylethyl)urea
CID 3917353
4-tert-butyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexylbenzamide
CID 42719772
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-methyl-N-(2-phenylethyl)benzamide
CID 3629448
1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-(4-ethoxyphenyl)-1-(2-phenylethyl)urea
CID 4041070
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentyl-3-(trifluoromethyl)benzamide
CID 4561999
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylbutanamide
CID 42719333
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethyl-3-(trifluoromethyl)benzamide
CID 4214005
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 4004381

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-phenylethyl)benzamide?
The IUPAC name of N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-phenylethyl)benzamide (CID 3897517) is N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-phenylethyl)benzamide?
The canonical SMILES for N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-phenylethyl)benzamide is CCC(c1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1)N(CCc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-phenylethyl)benzamide?
The InChIKey is ZMDUENBEJSQVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N3O2/c1-4-31(36(22-21-26-13-7-5-8-14-26)33(38)27-15-9-6-10-16-27)32-35-30-18-12-11-17-29(30)34(39)37(32)28-20-19-24(2)25(3)23-28/h5-20,23,31H,4,21-22H2,1-3H3.
What are the key properties of N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-phenylethyl)benzamide?
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-phenylethyl)benzamide has a molecular weight of 515.66 g/mol, XLogP of 6.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 3897517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).