4-[[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile

C24H19ClN4O3 — CID 118955650

IUPAC4-[[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile
SMILESCOc1cc(NCc2cc3cc(Cl)c(OCc4ccccn4)cc3[nH]c2=O)ccc1C#N
InChIInChI=1S/C24H19ClN4O3/c1-31-22-10-18(6-5-15(22)12-26)28-13-17-8-16-9-20(25)23(11-21(16)29-24(17)30)32-14-19-4-2-3-7-27-19/h2-11,28H,13-14H2,1H3,(H,29,30)
InChIKeyNRASQWAHCMHZAP-UHFFFAOYSA-N
MW446.89 g/mol
LogP4.65
Rot. Bonds7

About 4-[[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile

4-[[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile (PubChem CID 118955650) has the molecular formula C24H19ClN4O3 and a molecular weight of 446.89 g/mol. Its IUPAC name is 4-[[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile.

Molecular Properties

Compound Name4-[[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile
PubChem CID118955650
Molecular FormulaC24H19ClN4O3
Molecular Weight446.89 g/mol
Exact Mass446.11
IUPAC Name4-[[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile
SMILESCOc1cc(NCc2cc3cc(Cl)c(OCc4ccccn4)cc3[nH]c2=O)ccc1C#N
InChIInChI=1S/C24H19ClN4O3/c1-31-22-10-18(6-5-15(22)12-26)28-13-17-8-16-9-20(25)23(11-21(16)29-24(17)30)32-14-19-4-2-3-7-27-19/h2-11,28H,13-14H2,1H3,(H,29,30)
InChIKeyNRASQWAHCMHZAP-UHFFFAOYSA-N
XLogP4.65
TPSA100.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.89
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile with MolForge

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Related Compounds

2-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]-4-methoxypyrimidine-5-carbonitrile
CID 118953762
5-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile
CID 118955394
5-(((S)-1-(6-chloro-2-oxo-7-((R)-1-(pyridin-2-yl)ethoxy)-1,2-dihydroquinolin-3-yl)ethyl)amino)-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile
CID 118955433
4-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]-2-methoxybenzonitrile
CID 118955555
4-((6-Chloro-7-(2-morpholinoethoxy)-2-oxo-1,2-dihydroquinolin-3-yl)methyl amino)-2-methoxybenzonitrile
CID 118955606
4-[[6-chloro-2-oxo-8-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile
CID 118955663
4-[[6-chloro-7-[(1-methylpiperidin-2-yl)methoxy]-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile
CID 118955672
4-[[6-chloro-7-[(1,5-dimethylpyrazol-3-yl)methoxy]-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile
CID 118955701
N-[4-(4-Benzyloxy-3-chloro-phenylamino)-3-cyano-7-ethoxy-quinolin-6-yl]-2-dimethylaminomethyl-acrylamide
CID 11249881
N-(4-(4-(3-chlorobenzyloxy)-3-chlorophenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide
CID 11342331
N-Desmethyl neratinib
CID 11961295
3-[3-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]-2-fluorophenyl]-1,3-oxazolidin-2-one
CID 118955739

Frequently Asked Questions

What is the IUPAC name of 4-[[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile?
The IUPAC name of 4-[[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile (CID 118955650) is 4-[[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile.
What is the SMILES notation for 4-[[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile?
The canonical SMILES for 4-[[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile is COc1cc(NCc2cc3cc(Cl)c(OCc4ccccn4)cc3[nH]c2=O)ccc1C#N.
What is the InChIKey of 4-[[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile?
The InChIKey is NRASQWAHCMHZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O3/c1-31-22-10-18(6-5-15(22)12-26)28-13-17-8-16-9-20(25)23(11-21(16)29-24(17)30)32-14-19-4-2-3-7-27-19/h2-11,28H,13-14H2,1H3,(H,29,30).
What are the key properties of 4-[[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile?
4-[[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile has a molecular weight of 446.89 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile is sourced from PubChem (CID 118955650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).