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

C34H33N3O3 — CID 4690658

IUPACN-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-(2-phenylethyl)benzamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccccc1OC)N(CCc1ccccc1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C34H33N3O3/c1-4-29(36(23-22-25-12-6-5-7-13-25)33(38)26-20-18-24(2)19-21-26)32-35-28-15-9-8-14-27(28)34(39)37(32)30-16-10-11-17-31(30)40-3/h5-21,29H,4,22-23H2,1-3H3
InChIKeyLKNZIKODXUEIPH-UHFFFAOYSA-N
MW531.66 g/mol
LogP6.54
Rot. Bonds9

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

N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-(2-phenylethyl)benzamide (PubChem CID 4690658) has the molecular formula C34H33N3O3 and a molecular weight of 531.66 g/mol. Its IUPAC name is N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-(2-phenylethyl)benzamide
PubChem CID4690658
Molecular FormulaC34H33N3O3
Molecular Weight531.66 g/mol
Exact Mass531.25
IUPAC NameN-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-(2-phenylethyl)benzamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccccc1OC)N(CCc1ccccc1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C34H33N3O3/c1-4-29(36(23-22-25-12-6-5-7-13-25)33(38)26-20-18-24(2)19-21-26)32-35-28-15-9-8-14-27(28)34(39)37(32)30-16-10-11-17-31(30)40-3/h5-21,29H,4,22-23H2,1-3H3
InChIKeyLKNZIKODXUEIPH-UHFFFAOYSA-N
XLogP6.54
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.66
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Erastin
CID 11214940
3-(2-ethoxyphenyl)-2-(1-piperazinylmethyl)-4(3H)-quinazolinone
CID 11559627
N-(2-Methoxyphenyl)-4-{[3-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)propanoyl]amino}benzamide
CID 135566794
4(3H)-Quinazolinone, 3-(4-methoxyphenyl)-2-phenyl-
CID 708934
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-3-phenyl-N-(2-phenylethyl)propanamide
CID 42723446
3-(2-Methoxyphenyl)-2-phenyl-4(3H)-quinazolinone
CID 722875
2-ethyl-3-(2-methoxyphenyl)quinazolin-4(3H)-one
CID 754087
3-(4-methoxyphenyl)-2-(4-methylphenyl)quinazolin-4(3H)-one
CID 1895093
3-(2-Ethoxyphenyl)-2-[(4-methylpiperazin-1-yl)methyl]quinazolin-4-one
CID 56664909
3-(2-Ethoxyphenyl)-2-[(hexahydro-1H-1,4-diazepin-1-yl)methyl]-4(3H)-quinazolinone
CID 56668337
4(3H)-Quinazolinone, 2-(2-(4-methoxyphenyl)-2-oxoethyl)-3-(2-methylphenyl)-
CID 63833
2-benzyl-3-(2-methoxyphenyl)quinazolin-4(3H)-one
CID 910683

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-(2-phenylethyl)benzamide?
The IUPAC name of N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-(2-phenylethyl)benzamide (CID 4690658) is N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-(2-phenylethyl)benzamide.
What is the SMILES notation for N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-(2-phenylethyl)benzamide?
The canonical SMILES for N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-(2-phenylethyl)benzamide is CCC(c1nc2ccccc2c(=O)n1-c1ccccc1OC)N(CCc1ccccc1)C(=O)c1ccc(C)cc1.
What is the InChIKey of N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-(2-phenylethyl)benzamide?
The InChIKey is LKNZIKODXUEIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N3O3/c1-4-29(36(23-22-25-12-6-5-7-13-25)33(38)26-20-18-24(2)19-21-26)32-35-28-15-9-8-14-27(28)34(39)37(32)30-16-10-11-17-31(30)40-3/h5-21,29H,4,22-23H2,1-3H3.
What are the key properties of N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-(2-phenylethyl)benzamide?
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-(2-phenylethyl)benzamide has a molecular weight of 531.66 g/mol, XLogP of 6.54, 9 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]-4-methyl-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 4690658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).