N-[5-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide

C30H19ClN4O2S — CID 46933280

IUPACN-[5-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)s1)c1ccccc1
InChIInChI=1S/C30H19ClN4O2S/c31-21-15-17-22(18-16-21)35-27(32-24-14-8-7-13-23(24)29(35)37)26-25(19-9-3-1-4-10-19)33-30(38-26)34-28(36)20-11-5-2-6-12-20/h1-18H,(H,33,34,36)
InChIKeyFICNZZJYVDEKJY-UHFFFAOYSA-N
MW535.03 g/mol
LogP7.08
Rot. Bonds5

About N-[5-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide

N-[5-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide (PubChem CID 46933280) has the molecular formula C30H19ClN4O2S and a molecular weight of 535.03 g/mol. Its IUPAC name is N-[5-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide
PubChem CID46933280
Molecular FormulaC30H19ClN4O2S
Molecular Weight535.03 g/mol
Exact Mass534.09
IUPAC NameN-[5-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)s1)c1ccccc1
InChIInChI=1S/C30H19ClN4O2S/c31-21-15-17-22(18-16-21)35-27(32-24-14-8-7-13-23(24)29(35)37)26-25(19-9-3-1-4-10-19)33-30(38-26)34-28(36)20-11-5-2-6-12-20/h1-18H,(H,33,34,36)
InChIKeyFICNZZJYVDEKJY-UHFFFAOYSA-N
XLogP7.08
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.03
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[5-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide (CID 46933280) is N-[5-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[5-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)s1)c1ccccc1.
What is the InChIKey of N-[5-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is FICNZZJYVDEKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19ClN4O2S/c31-21-15-17-22(18-16-21)35-27(32-24-14-8-7-13-23(24)29(35)37)26-25(19-9-3-1-4-10-19)33-30(38-26)34-28(36)20-11-5-2-6-12-20/h1-18H,(H,33,34,36).
What are the key properties of N-[5-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide?
N-[5-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 535.03 g/mol, XLogP of 7.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 46933280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).