6-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide

C19H14BrN3OS — CID 4061427

IUPAC6-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide
SMILESO=C(NC1=NCCS1)c1cc(-c2ccccc2)nc2ccc(Br)cc12
InChIInChI=1S/C19H14BrN3OS/c20-13-6-7-16-14(10-13)15(18(24)23-19-21-8-9-25-19)11-17(22-16)12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,21,23,24)
InChIKeyUUEKUSKIAXEZKO-UHFFFAOYSA-N
MW412.31 g/mol
LogP4.50
Rot. Bonds2

About 6-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide

6-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide (PubChem CID 4061427) has the molecular formula C19H14BrN3OS and a molecular weight of 412.31 g/mol. Its IUPAC name is 6-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide
PubChem CID4061427
Molecular FormulaC19H14BrN3OS
Molecular Weight412.31 g/mol
Exact Mass411.00
IUPAC Name6-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide
SMILESO=C(NC1=NCCS1)c1cc(-c2ccccc2)nc2ccc(Br)cc12
InChIInChI=1S/C19H14BrN3OS/c20-13-6-7-16-14(10-13)15(18(24)23-19-21-8-9-25-19)11-17(22-16)12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,21,23,24)
InChIKeyUUEKUSKIAXEZKO-UHFFFAOYSA-N
XLogP4.50
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.31
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4061501
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17462030
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylquinoline-4-carboxamide
CID 2117314
6-bromo-2-phenylquinoline-4-carboxylate
CID 6974957
ethyl 2-[[6-bromo-2-(4-methylphenyl)quinoline-4-carbonyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 4526125
2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide
CID 2163425
6-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 694704
(6-bromo-2-phenylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 997940
6-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid
CID 3972728
propan-2-yl 2-[(6-bromo-2-phenylquinoline-4-carbonyl)amino]-4-(3,4-dichlorophenyl)thiophene-3-carboxylate
CID 4650685
6-bromo-2-(4-tert-butylphenyl)-N-cyclooctylquinoline-4-carboxamide
CID 3361283
(6-bromo-2-phenylquinolin-4-yl)-(4-butylpiperazin-1-yl)methanone
CID 17126607

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of 6-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide (CID 4061427) is 6-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for 6-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide is O=C(NC1=NCCS1)c1cc(-c2ccccc2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide?
The InChIKey is UUEKUSKIAXEZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3OS/c20-13-6-7-16-14(10-13)15(18(24)23-19-21-8-9-25-19)11-17(22-16)12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,21,23,24).
What are the key properties of 6-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide?
6-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide has a molecular weight of 412.31 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 4061427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).