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

C18H14ClN3O2 — CID 118955625

IUPAC4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile
SMILESCOc1cc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N
InChIInChI=1S/C18H14ClN3O2/c1-24-17-8-15(4-2-11(17)9-20)21-10-13-6-12-7-14(19)3-5-16(12)22-18(13)23/h2-8,21H,10H2,1H3,(H,22,23)
InChIKeyDHTDEOJRSYUVPD-UHFFFAOYSA-N
MW339.78 g/mol
LogP3.67
Rot. Bonds4

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

4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile (PubChem CID 118955625) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is 4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile.

Molecular Properties

Compound Name4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile
PubChem CID118955625
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC Name4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile
SMILESCOc1cc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N
InChIInChI=1S/C18H14ClN3O2/c1-24-17-8-15(4-2-11(17)9-20)21-10-13-6-12-7-14(19)3-5-16(12)22-18(13)23/h2-8,21H,10H2,1H3,(H,22,23)
InChIKeyDHTDEOJRSYUVPD-UHFFFAOYSA-N
XLogP3.67
TPSA77.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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-bromo-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile
CID 118955582
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
2-methoxy-4-[[2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]methylamino]benzonitrile
CID 118955613

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile?
The IUPAC name of 4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile (CID 118955625) is 4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile.
What is the SMILES notation for 4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile?
The canonical SMILES for 4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile is COc1cc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N.
What is the InChIKey of 4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile?
The InChIKey is DHTDEOJRSYUVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c1-24-17-8-15(4-2-11(17)9-20)21-10-13-6-12-7-14(19)3-5-16(12)22-18(13)23/h2-8,21H,10H2,1H3,(H,22,23).
What are the key properties of 4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile?
4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile has a molecular weight of 339.78 g/mol, XLogP of 3.67, 4 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-methoxybenzonitrile is sourced from PubChem (CID 118955625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).