6-bromo-N-(1H-inden-2-ylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide

C25H18BrN3O — CID 149460373

IUPAC6-bromo-N-(1H-inden-2-ylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(NCC1=Cc2ccccc2C1)c1cc(-c2ccccn2)nc2ccc(Br)cc12
InChIInChI=1S/C25H18BrN3O/c26-19-8-9-22-20(13-19)21(14-24(29-22)23-7-3-4-10-27-23)25(30)28-15-16-11-17-5-1-2-6-18(17)12-16/h1-11,13-14H,12,15H2,(H,28,30)
InChIKeyYZJUWYOYOTTWRP-UHFFFAOYSA-N
MW456.34 g/mol
LogP5.43
Rot. Bonds4

About 6-bromo-N-(1H-inden-2-ylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide

6-bromo-N-(1H-inden-2-ylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 149460373) has the molecular formula C25H18BrN3O and a molecular weight of 456.34 g/mol. Its IUPAC name is 6-bromo-N-(1H-inden-2-ylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(1H-inden-2-ylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID149460373
Molecular FormulaC25H18BrN3O
Molecular Weight456.34 g/mol
Exact Mass455.06
IUPAC Name6-bromo-N-(1H-inden-2-ylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(NCC1=Cc2ccccc2C1)c1cc(-c2ccccn2)nc2ccc(Br)cc12
InChIInChI=1S/C25H18BrN3O/c26-19-8-9-22-20(13-19)21(14-24(29-22)23-7-3-4-10-27-23)25(30)28-15-16-11-17-5-1-2-6-18(17)12-16/h1-11,13-14H,12,15H2,(H,28,30)
InChIKeyYZJUWYOYOTTWRP-UHFFFAOYSA-N
XLogP5.43
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.34
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 1261404
6-bromo-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 2220680
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
N-[(2-chlorophenyl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 3611934
6-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 46349002
N-(4-bromo-2-fluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 39315313
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 2327312
6-bromo-2-(2-bromophenyl)quinoline-4-carboxylic acid
CID 994225
7-fluoro-2-pyridin-2-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 39045993
N-cyclopropyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757672
N-cyclopentyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 4232578
2-phenyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 757671

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1H-inden-2-ylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of 6-bromo-N-(1H-inden-2-ylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide (CID 149460373) is 6-bromo-N-(1H-inden-2-ylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-N-(1H-inden-2-ylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for 6-bromo-N-(1H-inden-2-ylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide is O=C(NCC1=Cc2ccccc2C1)c1cc(-c2ccccn2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-N-(1H-inden-2-ylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is YZJUWYOYOTTWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrN3O/c26-19-8-9-22-20(13-19)21(14-24(29-22)23-7-3-4-10-27-23)25(30)28-15-16-11-17-5-1-2-6-18(17)12-16/h1-11,13-14H,12,15H2,(H,28,30).
What are the key properties of 6-bromo-N-(1H-inden-2-ylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide?
6-bromo-N-(1H-inden-2-ylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 456.34 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1H-inden-2-ylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 149460373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).