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

C19H16ClN3O2 — CID 118955611

IUPAC4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-ethoxybenzonitrile
SMILESCCOc1cc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N
InChIInChI=1S/C19H16ClN3O2/c1-2-25-18-9-16(5-3-12(18)10-21)22-11-14-7-13-8-15(20)4-6-17(13)23-19(14)24/h3-9,22H,2,11H2,1H3,(H,23,24)
InChIKeyRCJGFHDCHPKEJC-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.06
Rot. Bonds5

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

4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-ethoxybenzonitrile (PubChem CID 118955611) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-ethoxybenzonitrile.

Molecular Properties

Compound Name4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-ethoxybenzonitrile
PubChem CID118955611
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-ethoxybenzonitrile
SMILESCCOc1cc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N
InChIInChI=1S/C19H16ClN3O2/c1-2-25-18-9-16(5-3-12(18)10-21)22-11-14-7-13-8-15(20)4-6-17(13)23-19(14)24/h3-9,22H,2,11H2,1H3,(H,23,24)
InChIKeyRCJGFHDCHPKEJC-UHFFFAOYSA-N
XLogP4.06
TPSA77.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-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
2-methoxy-4-[[2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]methylamino]benzonitrile
CID 118955613
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

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-ethoxybenzonitrile?
The IUPAC name of 4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-ethoxybenzonitrile (CID 118955611) is 4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-ethoxybenzonitrile.
What is the SMILES notation for 4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-ethoxybenzonitrile?
The canonical SMILES for 4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-ethoxybenzonitrile is CCOc1cc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N.
What is the InChIKey of 4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-ethoxybenzonitrile?
The InChIKey is RCJGFHDCHPKEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-2-25-18-9-16(5-3-12(18)10-21)22-11-14-7-13-8-15(20)4-6-17(13)23-19(14)24/h3-9,22H,2,11H2,1H3,(H,23,24).
What are the key properties of 4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-ethoxybenzonitrile?
4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-ethoxybenzonitrile has a molecular weight of 353.81 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-ethoxybenzonitrile is sourced from PubChem (CID 118955611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).