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

C19H16ClN3O3 — CID 118955589

IUPAC4-[(6-chloro-8-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile
SMILESCOc1cc(NCc2cc3cc(Cl)cc(OC)c3[nH]c2=O)ccc1C#N
InChIInChI=1S/C19H16ClN3O3/c1-25-16-8-15(4-3-11(16)9-21)22-10-13-5-12-6-14(20)7-17(26-2)18(12)23-19(13)24/h3-8,22H,10H2,1-2H3,(H,23,24)
InChIKeyCQVRJZBBBURMFP-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.68
Rot. Bonds5

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

4-[(6-chloro-8-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile (PubChem CID 118955589) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is 4-[(6-chloro-8-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile.

Molecular Properties

Compound Name4-[(6-chloro-8-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile
PubChem CID118955589
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name4-[(6-chloro-8-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile
SMILESCOc1cc(NCc2cc3cc(Cl)cc(OC)c3[nH]c2=O)ccc1C#N
InChIInChI=1S/C19H16ClN3O3/c1-25-16-8-15(4-3-11(16)9-21)22-10-13-5-12-6-14(20)7-17(26-2)18(12)23-19(13)24/h3-8,22H,10H2,1-2H3,(H,23,24)
InChIKeyCQVRJZBBBURMFP-UHFFFAOYSA-N
XLogP3.68
TPSA87.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
2-methoxy-4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile
CID 118955570
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
4-[[6-chloro-2-oxo-7-[2-(2-oxopyrrolidin-1-yl)ethoxy]-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile
CID 118955642
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-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile?
The IUPAC name of 4-[(6-chloro-8-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile (CID 118955589) is 4-[(6-chloro-8-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile.
What is the SMILES notation for 4-[(6-chloro-8-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile?
The canonical SMILES for 4-[(6-chloro-8-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile is COc1cc(NCc2cc3cc(Cl)cc(OC)c3[nH]c2=O)ccc1C#N.
What is the InChIKey of 4-[(6-chloro-8-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile?
The InChIKey is CQVRJZBBBURMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-25-16-8-15(4-3-11(16)9-21)22-10-13-5-12-6-14(20)7-17(26-2)18(12)23-19(13)24/h3-8,22H,10H2,1-2H3,(H,23,24).
What are the key properties of 4-[(6-chloro-8-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile?
4-[(6-chloro-8-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile has a molecular weight of 369.81 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-8-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile is sourced from PubChem (CID 118955589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).