4-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-methoxybenzonitrile

C19H16ClN3O2 — CID 118955607

IUPAC4-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-methoxybenzonitrile
SMILESCOc1cc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N
InChIInChI=1S/C19H16ClN3O2/c1-11(22-15-5-3-12(10-21)18(9-15)25-2)16-8-13-7-14(20)4-6-17(13)23-19(16)24/h3-9,11,22H,1-2H3,(H,23,24)/t11-/m0/s1
InChIKeyPOQQQCAOZAXQHW-NSHDSACASA-N
MW353.81 g/mol
LogP4.23
Rot. Bonds4

About 4-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-methoxybenzonitrile

4-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-methoxybenzonitrile (PubChem CID 118955607) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 4-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-methoxybenzonitrile.

Molecular Properties

Compound Name4-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-methoxybenzonitrile
PubChem CID118955607
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name4-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-methoxybenzonitrile
SMILESCOc1cc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N
InChIInChI=1S/C19H16ClN3O2/c1-11(22-15-5-3-12(10-21)18(9-15)25-2)16-8-13-7-14(20)4-6-17(13)23-19(16)24/h3-9,11,22H,1-2H3,(H,23,24)/t11-/m0/s1
InChIKeyPOQQQCAOZAXQHW-NSHDSACASA-N
XLogP4.23
TPSA77.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-methoxybenzonitrile with MolForge

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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
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
4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-ethoxybenzonitrile
CID 118955611
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

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-methoxybenzonitrile?
The IUPAC name of 4-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-methoxybenzonitrile (CID 118955607) is 4-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-methoxybenzonitrile.
What is the SMILES notation for 4-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-methoxybenzonitrile?
The canonical SMILES for 4-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-methoxybenzonitrile is COc1cc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N.
What is the InChIKey of 4-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-methoxybenzonitrile?
The InChIKey is POQQQCAOZAXQHW-NSHDSACASA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-11(22-15-5-3-12(10-21)18(9-15)25-2)16-8-13-7-14(20)4-6-17(13)23-19(16)24/h3-9,11,22H,1-2H3,(H,23,24)/t11-/m0/s1.
What are the key properties of 4-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-methoxybenzonitrile?
4-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-methoxybenzonitrile has a molecular weight of 353.81 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-methoxybenzonitrile is sourced from PubChem (CID 118955607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).