2-chloro-N-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide

C32H28ClN3O3 — CID 3201860

IUPAC2-chloro-N-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide
SMILESCCCc1nc2ccc(NC(=O)c3ccccc3Cl)cc2c(=O)n1Cc1ccc(-c2cccc(OC)c2)cc1
InChIInChI=1S/C32H28ClN3O3/c1-3-7-30-35-29-17-16-24(34-31(37)26-10-4-5-11-28(26)33)19-27(29)32(38)36(30)20-21-12-14-22(15-13-21)23-8-6-9-25(18-23)39-2/h4-6,8-19H,3,7,20H2,1-2H3,(H,34,37)
InChIKeyMJNUQNOAEWRZCF-UHFFFAOYSA-N
MW538.05 g/mol
LogP6.98
Rot. Bonds8

About 2-chloro-N-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide

2-chloro-N-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide (PubChem CID 3201860) has the molecular formula C32H28ClN3O3 and a molecular weight of 538.05 g/mol. Its IUPAC name is 2-chloro-N-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide
PubChem CID3201860
Molecular FormulaC32H28ClN3O3
Molecular Weight538.05 g/mol
Exact Mass537.18
IUPAC Name2-chloro-N-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide
SMILESCCCc1nc2ccc(NC(=O)c3ccccc3Cl)cc2c(=O)n1Cc1ccc(-c2cccc(OC)c2)cc1
InChIInChI=1S/C32H28ClN3O3/c1-3-7-30-35-29-17-16-24(34-31(37)26-10-4-5-11-28(26)33)19-27(29)32(38)36(30)20-21-12-14-22(15-13-21)23-8-6-9-25(18-23)39-2/h4-6,8-19H,3,7,20H2,1-2H3,(H,34,37)
InChIKeyMJNUQNOAEWRZCF-UHFFFAOYSA-N
XLogP6.98
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.05
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide?
The IUPAC name of 2-chloro-N-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide (CID 3201860) is 2-chloro-N-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide is CCCc1nc2ccc(NC(=O)c3ccccc3Cl)cc2c(=O)n1Cc1ccc(-c2cccc(OC)c2)cc1.
What is the InChIKey of 2-chloro-N-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide?
The InChIKey is MJNUQNOAEWRZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28ClN3O3/c1-3-7-30-35-29-17-16-24(34-31(37)26-10-4-5-11-28(26)33)19-27(29)32(38)36(30)20-21-12-14-22(15-13-21)23-8-6-9-25(18-23)39-2/h4-6,8-19H,3,7,20H2,1-2H3,(H,34,37).
What are the key properties of 2-chloro-N-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide?
2-chloro-N-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide has a molecular weight of 538.05 g/mol, XLogP of 6.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide is sourced from PubChem (CID 3201860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).