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

C25H27ClN4O3 — CID 118955672

IUPAC4-[[6-chloro-7-[(1-methylpiperidin-2-yl)methoxy]-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile
SMILESCOc1cc(NCc2cc3cc(Cl)c(OCC4CCCCN4C)cc3[nH]c2=O)ccc1C#N
InChIInChI=1S/C25H27ClN4O3/c1-30-8-4-3-5-20(30)15-33-24-12-22-17(10-21(24)26)9-18(25(31)29-22)14-28-19-7-6-16(13-27)23(11-19)32-2/h6-7,9-12,20,28H,3-5,8,14-15H2,1-2H3,(H,29,31)
InChIKeySNBIPUDRMOXTPE-UHFFFAOYSA-N
MW466.97 g/mol
LogP4.54
Rot. Bonds7

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

4-[[6-chloro-7-[(1-methylpiperidin-2-yl)methoxy]-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile (PubChem CID 118955672) has the molecular formula C25H27ClN4O3 and a molecular weight of 466.97 g/mol. Its IUPAC name is 4-[[6-chloro-7-[(1-methylpiperidin-2-yl)methoxy]-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile.

Molecular Properties

Compound Name4-[[6-chloro-7-[(1-methylpiperidin-2-yl)methoxy]-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile
PubChem CID118955672
Molecular FormulaC25H27ClN4O3
Molecular Weight466.97 g/mol
Exact Mass466.18
IUPAC Name4-[[6-chloro-7-[(1-methylpiperidin-2-yl)methoxy]-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile
SMILESCOc1cc(NCc2cc3cc(Cl)c(OCC4CCCCN4C)cc3[nH]c2=O)ccc1C#N
InChIInChI=1S/C25H27ClN4O3/c1-30-8-4-3-5-20(30)15-33-24-12-22-17(10-21(24)26)9-18(25(31)29-22)14-28-19-7-6-16(13-27)23(11-19)32-2/h6-7,9-12,20,28H,3-5,8,14-15H2,1-2H3,(H,29,31)
InChIKeySNBIPUDRMOXTPE-UHFFFAOYSA-N
XLogP4.54
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.97
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

4-{[(6-Chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile
CID 118955625
(S)-5-((1-(6-chloro-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)amino)-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile
CID 118955424
(S)-5-((1-(6-chloro-7-(cyclopropylmethoxy)-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)amino)-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile
CID 118955426
4-[(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile
CID 118955554
4-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]-2-methoxybenzonitrile
CID 118955555
4-((6-Chloro-8-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methylamino)-2-methoxybenzonitrile
CID 118955589
4-((6-Chloro-8-(2-morpholinoethoxy)-2-oxo-1,2-dihydroquinolin-3-yl)methylamino)-2-methoxybenzonitrile
CID 118955592
4-[[6-chloro-7-(1-methylpiperidin-4-yl)oxy-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile
CID 118955597
4-((6-Chloro-7-(2-morpholinoethoxy)-2-oxo-1,2-dihydroquinolin-3-yl)methyl amino)-2-methoxybenzonitrile
CID 118955606
(S)-4-((1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)amino)-2-methoxy benzonitrile
CID 118955607
4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-ethoxybenzonitrile
CID 118955611
4-[[6-chloro-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile
CID 118955618

Frequently Asked Questions

What is the IUPAC name of 4-[[6-chloro-7-[(1-methylpiperidin-2-yl)methoxy]-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile?
The IUPAC name of 4-[[6-chloro-7-[(1-methylpiperidin-2-yl)methoxy]-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile (CID 118955672) is 4-[[6-chloro-7-[(1-methylpiperidin-2-yl)methoxy]-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile.
What is the SMILES notation for 4-[[6-chloro-7-[(1-methylpiperidin-2-yl)methoxy]-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile?
The canonical SMILES for 4-[[6-chloro-7-[(1-methylpiperidin-2-yl)methoxy]-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile is COc1cc(NCc2cc3cc(Cl)c(OCC4CCCCN4C)cc3[nH]c2=O)ccc1C#N.
What is the InChIKey of 4-[[6-chloro-7-[(1-methylpiperidin-2-yl)methoxy]-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile?
The InChIKey is SNBIPUDRMOXTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O3/c1-30-8-4-3-5-20(30)15-33-24-12-22-17(10-21(24)26)9-18(25(31)29-22)14-28-19-7-6-16(13-27)23(11-19)32-2/h6-7,9-12,20,28H,3-5,8,14-15H2,1-2H3,(H,29,31).
What are the key properties of 4-[[6-chloro-7-[(1-methylpiperidin-2-yl)methoxy]-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile?
4-[[6-chloro-7-[(1-methylpiperidin-2-yl)methoxy]-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile has a molecular weight of 466.97 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-chloro-7-[(1-methylpiperidin-2-yl)methoxy]-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile is sourced from PubChem (CID 118955672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).