5-[[1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-4-methylpyridin-2-amine

C24H22ClN5 — CID 118669075

IUPAC5-[[1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-4-methylpyridin-2-amine
SMILESC=C(NCc1cnc(N)cc1C)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1
InChIInChI=1S/C24H22ClN5/c1-15-7-24(26)30-13-20(15)12-28-16(2)18-5-6-27-22(11-18)9-17-3-4-23-19(8-17)10-21(25)14-29-23/h3-8,10-11,13-14,28H,2,9,12H2,1H3,(H2,26,30)
InChIKeyKZWVVXGKWDJUCE-UHFFFAOYSA-N
MW415.93 g/mol
LogP4.92
Rot. Bonds6

About 5-[[1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-4-methylpyridin-2-amine

5-[[1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-4-methylpyridin-2-amine (PubChem CID 118669075) has the molecular formula C24H22ClN5 and a molecular weight of 415.93 g/mol. Its IUPAC name is 5-[[1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[[1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-4-methylpyridin-2-amine
PubChem CID118669075
Molecular FormulaC24H22ClN5
Molecular Weight415.93 g/mol
Exact Mass415.16
IUPAC Name5-[[1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-4-methylpyridin-2-amine
SMILESC=C(NCc1cnc(N)cc1C)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1
InChIInChI=1S/C24H22ClN5/c1-15-7-24(26)30-13-20(15)12-28-16(2)18-5-6-27-22(11-18)9-17-3-4-23-19(8-17)10-21(25)14-29-23/h3-8,10-11,13-14,28H,2,9,12H2,1H3,(H2,26,30)
InChIKeyKZWVVXGKWDJUCE-UHFFFAOYSA-N
XLogP4.92
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.93
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-4-methylpyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118213222
1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]-N-[(1-hydroxy-6-imino-2,4-dimethyl-3-pyridinyl)methyl]ethenamine
CID 118668728
5-[[1-[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-6-methylpyridin-2-amine
CID 118669054
N-[(6-amino-5-chloro-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-3-chloro-6-methylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride
CID 159580689
N-[(3-amino-1-methylimidazo[1,5-a]pyridin-7-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118665326
N-[[4-amino-3-(difluoromethoxy)-2-fluorophenyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;ethane
CID 177191376
N-[(6-chloroimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118665343
2-[(3-chloroquinolin-6-yl)methyl]-N-(3-ethyliminopropyl)pyridine-4-carboxamide
CID 145002112
N-[(3-aminoimidazo[1,5-c]pyrimidin-7-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118665307
2-[(3-chloroquinolin-6-yl)methyl]-N-[(1-hydroxy-6-imino-2,4-dimethyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 118665244
2-[(3-chloroquinolin-6-yl)methyl]-N-[[2-methyl-6-(2-phenylmethoxyethylamino)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 126501547
2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(6-fluoro-1H-indol-5-yl)methanamine
CID 160878239

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-4-methylpyridin-2-amine?
The IUPAC name of 5-[[1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-4-methylpyridin-2-amine (CID 118669075) is 5-[[1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 5-[[1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-4-methylpyridin-2-amine?
The canonical SMILES for 5-[[1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-4-methylpyridin-2-amine is C=C(NCc1cnc(N)cc1C)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1.
What is the InChIKey of 5-[[1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-4-methylpyridin-2-amine?
The InChIKey is KZWVVXGKWDJUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5/c1-15-7-24(26)30-13-20(15)12-28-16(2)18-5-6-27-22(11-18)9-17-3-4-23-19(8-17)10-21(25)14-29-23/h3-8,10-11,13-14,28H,2,9,12H2,1H3,(H2,26,30).
What are the key properties of 5-[[1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-4-methylpyridin-2-amine?
5-[[1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-4-methylpyridin-2-amine has a molecular weight of 415.93 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 118669075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).