N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-chloroquinoline-4-carboxamide

C18H12BrClN4O — CID 55976894

IUPACN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-chloroquinoline-4-carboxamide
SMILESO=C(NCc1cn2cc(Br)ccc2n1)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C18H12BrClN4O/c19-11-5-6-17-22-12(10-24(17)9-11)8-21-18(25)14-7-16(20)23-15-4-2-1-3-13(14)15/h1-7,9-10H,8H2,(H,21,25)
InChIKeyIQKPCPYEXCFJNK-UHFFFAOYSA-N
MW415.68 g/mol
LogP4.23
Rot. Bonds3

About N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-chloroquinoline-4-carboxamide

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-chloroquinoline-4-carboxamide (PubChem CID 55976894) has the molecular formula C18H12BrClN4O and a molecular weight of 415.68 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-chloroquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-chloroquinoline-4-carboxamide
PubChem CID55976894
Molecular FormulaC18H12BrClN4O
Molecular Weight415.68 g/mol
Exact Mass413.99
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-chloroquinoline-4-carboxamide
SMILESO=C(NCc1cn2cc(Br)ccc2n1)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C18H12BrClN4O/c19-11-5-6-17-22-12(10-24(17)9-11)8-21-18(25)14-7-16(20)23-15-4-2-1-3-13(14)15/h1-7,9-10H,8H2,(H,21,25)
InChIKeyIQKPCPYEXCFJNK-UHFFFAOYSA-N
XLogP4.23
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.68
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-2-chloroquinoline-4-carboxamide
CID 32776156
2-chloro-N-(pyridazin-3-ylmethyl)quinoline-4-carboxamide
CID 106832238
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide
CID 55975866
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-phenylthiophene-2-carboxamide
CID 55975736
2-chloro-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide
CID 104600407
N-butyl-2-chloroquinoline-4-carboxamide
CID 14813194
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5-triethoxybenzamide
CID 55976377
N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-3-oxopropyl]-4-chlorobenzamide
CID 55977015
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55975870
2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107317154
5-chloro-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-fluorobenzamide
CID 86917632
2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
CID 13255244

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-chloroquinoline-4-carboxamide?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-chloroquinoline-4-carboxamide (CID 55976894) is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-chloroquinoline-4-carboxamide.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-chloroquinoline-4-carboxamide?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-chloroquinoline-4-carboxamide is O=C(NCc1cn2cc(Br)ccc2n1)c1cc(Cl)nc2ccccc12.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-chloroquinoline-4-carboxamide?
The InChIKey is IQKPCPYEXCFJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrClN4O/c19-11-5-6-17-22-12(10-24(17)9-11)8-21-18(25)14-7-16(20)23-15-4-2-1-3-13(14)15/h1-7,9-10H,8H2,(H,21,25).
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-chloroquinoline-4-carboxamide?
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-chloroquinoline-4-carboxamide has a molecular weight of 415.68 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-chloroquinoline-4-carboxamide is sourced from PubChem (CID 55976894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).