6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-[methyl(2-methylpropyl)amino]pyridine-3-carbonitrile

C21H22ClN5O — CID 118956121

IUPAC6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-[methyl(2-methylpropyl)amino]pyridine-3-carbonitrile
SMILESCC(C)CN(C)c1nc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N
InChIInChI=1S/C21H22ClN5O/c1-13(2)12-27(3)20-14(10-23)4-7-19(26-20)24-11-16-8-15-9-17(22)5-6-18(15)25-21(16)28/h4-9,13H,11-12H2,1-3H3,(H,24,26)(H,25,28)
InChIKeyTYJNSFZDRJRYLI-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.15
Rot. Bonds6

About 6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-[methyl(2-methylpropyl)amino]pyridine-3-carbonitrile

6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-[methyl(2-methylpropyl)amino]pyridine-3-carbonitrile (PubChem CID 118956121) has the molecular formula C21H22ClN5O and a molecular weight of 395.89 g/mol. Its IUPAC name is 6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-[methyl(2-methylpropyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-[methyl(2-methylpropyl)amino]pyridine-3-carbonitrile
PubChem CID118956121
Molecular FormulaC21H22ClN5O
Molecular Weight395.89 g/mol
Exact Mass395.15
IUPAC Name6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-[methyl(2-methylpropyl)amino]pyridine-3-carbonitrile
SMILESCC(C)CN(C)c1nc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N
InChIInChI=1S/C21H22ClN5O/c1-13(2)12-27(3)20-14(10-23)4-7-19(26-20)24-11-16-8-15-9-17(22)5-6-18(15)25-21(16)28/h4-9,13H,11-12H2,1-3H3,(H,24,26)(H,25,28)
InChIKeyTYJNSFZDRJRYLI-UHFFFAOYSA-N
XLogP4.15
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-[methyl(2-methylpropyl)amino]pyridine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

6-[(6-chloro-7-hydroxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methylpyridine-3-carbonitrile
CID 118955591
5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-6-oxo-1H-pyridine-2-carbonitrile
CID 118955458
6-chloro-3-[(1,6-naphthyridin-2-ylamino)methyl]-1H-quinolin-2-one
CID 122637271
N-[2-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-5-methoxypyrimidin-4-yl]-N-(2-methylpropyl)formamide
CID 145174638
6-chloro-3-[[[4-[2-methylpropylsulfanyl(propan-2-yl)amino]pyrimidin-2-yl]amino]methyl]-1H-quinolin-2-one
CID 145049135
4-[[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]methyl]benzonitrile
CID 155527494
6-chloro-3-[[[4-[methylsulfanyl(propan-2-yl)amino]pyrimidin-2-yl]amino]methyl]-1H-quinolin-2-one
CID 146240371
4-chloro-2-[methyl(2-methylpropyl)amino]benzonitrile
CID 63094076
6-chloro-3-[(2-fluoroanilino)methyl]-1H-quinolin-2-one
CID 118955702
6-chloro-3-[[(1-methyl-2-oxo-3H-pyrrolo[2,3-c]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one
CID 122637348
3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318659
6-chloro-3-[(1H-indazol-6-ylamino)methyl]-1H-quinolin-2-one
CID 122637226

Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-[methyl(2-methylpropyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-[methyl(2-methylpropyl)amino]pyridine-3-carbonitrile (CID 118956121) is 6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-[methyl(2-methylpropyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-[methyl(2-methylpropyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-[methyl(2-methylpropyl)amino]pyridine-3-carbonitrile is CC(C)CN(C)c1nc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N.
What is the InChIKey of 6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-[methyl(2-methylpropyl)amino]pyridine-3-carbonitrile?
The InChIKey is TYJNSFZDRJRYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O/c1-13(2)12-27(3)20-14(10-23)4-7-19(26-20)24-11-16-8-15-9-17(22)5-6-18(15)25-21(16)28/h4-9,13H,11-12H2,1-3H3,(H,24,26)(H,25,28).
What are the key properties of 6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-[methyl(2-methylpropyl)amino]pyridine-3-carbonitrile?
6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-[methyl(2-methylpropyl)amino]pyridine-3-carbonitrile has a molecular weight of 395.89 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-[methyl(2-methylpropyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 118956121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).