4-[[6-chloro-8-(2-morpholin-4-ylethoxy)-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile

C24H25ClN4O4 — CID 118955592

IUPAC4-[[6-chloro-8-(2-morpholin-4-ylethoxy)-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile
SMILESCOc1cc(NCc2cc3cc(Cl)cc(OCCN4CCOCC4)c3[nH]c2=O)ccc1C#N
InChIInChI=1S/C24H25ClN4O4/c1-31-21-13-20(3-2-16(21)14-26)27-15-18-10-17-11-19(25)12-22(23(17)28-24(18)30)33-9-6-29-4-7-32-8-5-29/h2-3,10-13,27H,4-9,15H2,1H3,(H,28,30)
InChIKeyBDNAALPRTZXITM-UHFFFAOYSA-N
MW468.94 g/mol
LogP3.38
Rot. Bonds8

About 4-[[6-chloro-8-(2-morpholin-4-ylethoxy)-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile

4-[[6-chloro-8-(2-morpholin-4-ylethoxy)-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile (PubChem CID 118955592) has the molecular formula C24H25ClN4O4 and a molecular weight of 468.94 g/mol. Its IUPAC name is 4-[[6-chloro-8-(2-morpholin-4-ylethoxy)-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile.

Molecular Properties

Compound Name4-[[6-chloro-8-(2-morpholin-4-ylethoxy)-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile
PubChem CID118955592
Molecular FormulaC24H25ClN4O4
Molecular Weight468.94 g/mol
Exact Mass468.16
IUPAC Name4-[[6-chloro-8-(2-morpholin-4-ylethoxy)-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile
SMILESCOc1cc(NCc2cc3cc(Cl)cc(OCCN4CCOCC4)c3[nH]c2=O)ccc1C#N
InChIInChI=1S/C24H25ClN4O4/c1-31-21-13-20(3-2-16(21)14-26)27-15-18-10-17-11-19(25)12-22(23(17)28-24(18)30)33-9-6-29-4-7-32-8-5-29/h2-3,10-13,27H,4-9,15H2,1H3,(H,28,30)
InChIKeyBDNAALPRTZXITM-UHFFFAOYSA-N
XLogP3.38
TPSA99.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.94
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[6-chloro-8-(2-morpholin-4-ylethoxy)-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-{[(6-Chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile
CID 118955625
4-[(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile
CID 118955554
4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methoxybenzonitrile
CID 118955568
4-((6-Chloro-8-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methylamino)-2-methoxybenzonitrile
CID 118955589
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
4-[[6-chloro-2-oxo-7-[2-(2-oxopyrrolidin-1-yl)ethoxy]-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile
CID 118955642
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

Frequently Asked Questions

What is the IUPAC name of 4-[[6-chloro-8-(2-morpholin-4-ylethoxy)-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile?
The IUPAC name of 4-[[6-chloro-8-(2-morpholin-4-ylethoxy)-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile (CID 118955592) is 4-[[6-chloro-8-(2-morpholin-4-ylethoxy)-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile.
What is the SMILES notation for 4-[[6-chloro-8-(2-morpholin-4-ylethoxy)-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile?
The canonical SMILES for 4-[[6-chloro-8-(2-morpholin-4-ylethoxy)-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile is COc1cc(NCc2cc3cc(Cl)cc(OCCN4CCOCC4)c3[nH]c2=O)ccc1C#N.
What is the InChIKey of 4-[[6-chloro-8-(2-morpholin-4-ylethoxy)-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile?
The InChIKey is BDNAALPRTZXITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O4/c1-31-21-13-20(3-2-16(21)14-26)27-15-18-10-17-11-19(25)12-22(23(17)28-24(18)30)33-9-6-29-4-7-32-8-5-29/h2-3,10-13,27H,4-9,15H2,1H3,(H,28,30).
What are the key properties of 4-[[6-chloro-8-(2-morpholin-4-ylethoxy)-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile?
4-[[6-chloro-8-(2-morpholin-4-ylethoxy)-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile has a molecular weight of 468.94 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-chloro-8-(2-morpholin-4-ylethoxy)-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile is sourced from PubChem (CID 118955592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).