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

C30H27N3OS — CID 4641636

IUPACN-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)quinoline-4-carboxamide
SMILESCCC(C)c1ccc(-c2csc(NC(=O)c3cc(-c4cccc(C)c4)nc4ccccc34)n2)cc1
InChIInChI=1S/C30H27N3OS/c1-4-20(3)21-12-14-22(15-13-21)28-18-35-30(32-28)33-29(34)25-17-27(23-9-7-8-19(2)16-23)31-26-11-6-5-10-24(25)26/h5-18,20H,4H2,1-3H3,(H,32,33,34)
InChIKeyRYAGQRICACLZBX-UHFFFAOYSA-N
MW477.63 g/mol
LogP8.10
Rot. Bonds6

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

N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)quinoline-4-carboxamide (PubChem CID 4641636) has the molecular formula C30H27N3OS and a molecular weight of 477.63 g/mol. Its IUPAC name is N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)quinoline-4-carboxamide
PubChem CID4641636
Molecular FormulaC30H27N3OS
Molecular Weight477.63 g/mol
Exact Mass477.19
IUPAC NameN-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)quinoline-4-carboxamide
SMILESCCC(C)c1ccc(-c2csc(NC(=O)c3cc(-c4cccc(C)c4)nc4ccccc34)n2)cc1
InChIInChI=1S/C30H27N3OS/c1-4-20(3)21-12-14-22(15-13-21)28-18-35-30(32-28)33-29(34)25-17-27(23-9-7-8-19(2)16-23)31-26-11-6-5-10-24(25)26/h5-18,20H,4H2,1-3H3,(H,32,33,34)
InChIKeyRYAGQRICACLZBX-UHFFFAOYSA-N
XLogP8.10
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.63
LogP ≤ 58.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)quinoline-4-carboxamide with MolForge

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Related Compounds

N-(4-butan-2-ylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 3554541
2-(3,4-dichlorophenyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 3361056
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 5142108
2-(5-methylthiophen-2-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 3275160
2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2163412
2-(4-butan-2-ylphenyl)quinoline-4-carboxylic acid
CID 3796863
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
CID 5151402
2-(4-ethylphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 3828512
2-(3-methylphenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 3596091
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4617193
N-[4-[4-[(2R)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 6552731
N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 4198104

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)quinoline-4-carboxamide (CID 4641636) is N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)quinoline-4-carboxamide is CCC(C)c1ccc(-c2csc(NC(=O)c3cc(-c4cccc(C)c4)nc4ccccc34)n2)cc1.
What is the InChIKey of N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)quinoline-4-carboxamide?
The InChIKey is RYAGQRICACLZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3OS/c1-4-20(3)21-12-14-22(15-13-21)28-18-35-30(32-28)33-29(34)25-17-27(23-9-7-8-19(2)16-23)31-26-11-6-5-10-24(25)26/h5-18,20H,4H2,1-3H3,(H,32,33,34).
What are the key properties of N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)quinoline-4-carboxamide?
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)quinoline-4-carboxamide has a molecular weight of 477.63 g/mol, XLogP of 8.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4641636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).