2-(4-chlorophenyl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide

C27H20ClN3OS — CID 5142369

IUPAC2-(4-chlorophenyl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3c(C)c(-c4ccc(Cl)cc4)nc4ccccc34)n2)cc1
InChIInChI=1S/C27H20ClN3OS/c1-16-7-9-18(10-8-16)23-15-33-27(30-23)31-26(32)24-17(2)25(19-11-13-20(28)14-12-19)29-22-6-4-3-5-21(22)24/h3-15H,1-2H3,(H,30,31,32)
InChIKeyIDKUNYQTYZYOHM-UHFFFAOYSA-N
MW470.00 g/mol
LogP7.55
Rot. Bonds4

About 2-(4-chlorophenyl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide

2-(4-chlorophenyl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide (PubChem CID 5142369) has the molecular formula C27H20ClN3OS and a molecular weight of 470.00 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
PubChem CID5142369
Molecular FormulaC27H20ClN3OS
Molecular Weight470.00 g/mol
Exact Mass469.10
IUPAC Name2-(4-chlorophenyl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3c(C)c(-c4ccc(Cl)cc4)nc4ccccc34)n2)cc1
InChIInChI=1S/C27H20ClN3OS/c1-16-7-9-18(10-8-16)23-15-33-27(30-23)31-26(32)24-17(2)25(19-11-13-20(28)14-12-19)29-22-6-4-3-5-21(22)24/h3-15H,1-2H3,(H,30,31,32)
InChIKeyIDKUNYQTYZYOHM-UHFFFAOYSA-N
XLogP7.55
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.00
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
CID 4118726
2-(4-chlorophenyl)-3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 4052157
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylquinoline-4-carboxamide
CID 3624127
2-(4-methoxyphenyl)-3-methyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 3308982
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 5142108
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 5196863
3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 3497101
3-methyl-2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 4101580
methyl 4-(4-chlorophenyl)-2-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate
CID 4607107
2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2163412
N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
CID 4598945
3-methyl-2-(4-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 4292288

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide (CID 5142369) is 2-(4-chlorophenyl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide is Cc1ccc(-c2csc(NC(=O)c3c(C)c(-c4ccc(Cl)cc4)nc4ccccc34)n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide?
The InChIKey is IDKUNYQTYZYOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClN3OS/c1-16-7-9-18(10-8-16)23-15-33-27(30-23)31-26(32)24-17(2)25(19-11-13-20(28)14-12-19)29-22-6-4-3-5-21(22)24/h3-15H,1-2H3,(H,30,31,32).
What are the key properties of 2-(4-chlorophenyl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide?
2-(4-chlorophenyl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide has a molecular weight of 470.00 g/mol, XLogP of 7.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 5142369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).