N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylquinoline-4-carboxamide

C26H17Cl2N3OS — CID 3624127

IUPACN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylquinoline-4-carboxamide
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C26H17Cl2N3OS/c1-15-23(18-9-5-6-10-21(18)29-24(15)16-7-3-2-4-8-16)25(32)31-26-30-22(14-33-26)17-11-12-19(27)20(28)13-17/h2-14H,1H3,(H,30,31,32)
InChIKeyXDUUDRLJBLMZFJ-UHFFFAOYSA-N
MW490.42 g/mol
LogP7.89
Rot. Bonds4

About N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylquinoline-4-carboxamide

N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylquinoline-4-carboxamide (PubChem CID 3624127) has the molecular formula C26H17Cl2N3OS and a molecular weight of 490.42 g/mol. Its IUPAC name is N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylquinoline-4-carboxamide
PubChem CID3624127
Molecular FormulaC26H17Cl2N3OS
Molecular Weight490.42 g/mol
Exact Mass489.05
IUPAC NameN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylquinoline-4-carboxamide
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C26H17Cl2N3OS/c1-15-23(18-9-5-6-10-21(18)29-24(15)16-7-3-2-4-8-16)25(32)31-26-30-22(14-33-26)17-11-12-19(27)20(28)13-17/h2-14H,1H3,(H,30,31,32)
InChIKeyXDUUDRLJBLMZFJ-UHFFFAOYSA-N
XLogP7.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.42
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 5196863
2-(4-chlorophenyl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 5142369
2-(4-methoxyphenyl)-3-methyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 3308982
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
CID 4118726
3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 3497101
2-(4-chlorophenyl)-3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 4052157
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 5142108
2-(3,4-dichlorophenyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 3361056
3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 4079544
3-methyl-2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 4101580
3-methyl-2-(4-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 4292288
N-(3-chloro-4-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
CID 3279592

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylquinoline-4-carboxamide (CID 3624127) is N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylquinoline-4-carboxamide is Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1.
What is the InChIKey of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylquinoline-4-carboxamide?
The InChIKey is XDUUDRLJBLMZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl2N3OS/c1-15-23(18-9-5-6-10-21(18)29-24(15)16-7-3-2-4-8-16)25(32)31-26-30-22(14-33-26)17-11-12-19(27)20(28)13-17/h2-14H,1H3,(H,30,31,32).
What are the key properties of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylquinoline-4-carboxamide?
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylquinoline-4-carboxamide has a molecular weight of 490.42 g/mol, XLogP of 7.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 3624127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).