2-chloro-4-[[1-methyl-2-oxo-4-(1-pyridin-2-ylethylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile

C23H19ClN6O — CID 135385330

IUPAC2-chloro-4-[[1-methyl-2-oxo-4-(1-pyridin-2-ylethylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile
SMILESCC(Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1ccccn1
InChIInChI=1S/C23H19ClN6O/c1-14(18-5-3-4-9-26-18)28-20-12-22(31)30(2)21-7-6-15(11-16(20)21)29-19-8-10-27-23(24)17(19)13-25/h3-12,14,28H,1-2H3,(H,27,29)
InChIKeyPELMLHFTWVSBET-UHFFFAOYSA-N
MW430.90 g/mol
LogP4.77
Rot. Bonds5

About 2-chloro-4-[[1-methyl-2-oxo-4-(1-pyridin-2-ylethylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile

2-chloro-4-[[1-methyl-2-oxo-4-(1-pyridin-2-ylethylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile (PubChem CID 135385330) has the molecular formula C23H19ClN6O and a molecular weight of 430.90 g/mol. Its IUPAC name is 2-chloro-4-[[1-methyl-2-oxo-4-(1-pyridin-2-ylethylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-4-[[1-methyl-2-oxo-4-(1-pyridin-2-ylethylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile
PubChem CID135385330
Molecular FormulaC23H19ClN6O
Molecular Weight430.90 g/mol
Exact Mass430.13
IUPAC Name2-chloro-4-[[1-methyl-2-oxo-4-(1-pyridin-2-ylethylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile
SMILESCC(Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1ccccn1
InChIInChI=1S/C23H19ClN6O/c1-14(18-5-3-4-9-26-18)28-20-12-22(31)30(2)21-7-6-15(11-16(20)21)29-19-8-10-27-23(24)17(19)13-25/h3-12,14,28H,1-2H3,(H,27,29)
InChIKeyPELMLHFTWVSBET-UHFFFAOYSA-N
XLogP4.77
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.90
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-Chloranyl-4-[[4-[2-(5-cyclopropylpyrimidin-2-yl)propan-2-ylamino]-1-methyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile
CID 135385343
2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-[[(1R)-1-pyrimidin-2-ylethyl]amino]quinolin-6-yl]amino]pyridine-3-carbonitrile
CID 135385752
2-Chloranyl-4-[[1-methyl-2-oxidanylidene-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile
CID 135385909
(2R)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide
CID 142478375
2-chloro-4-[[(2S)-2,7-dimethyl-6-oxo-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile
CID 146171979
2-chloranyl-4-[[4-(1-methylpyrazol-4-yl)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile
CID 162368330
(2S)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide
CID 162368332
(E)-4-Dimethylamino-but-2-enoic acid [4-(3-chloro-4-fluoro-phenylamino)-3-cyano-quinolin-6-yl]-amide
CID 9954075
2-acetyl-10-[(2-chloro-4-pyridinyl)methylamino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-8-carbonitrile
CID 117830507
US11161839, Example 1a
CID 135385641
US11161839, Example 11h
CID 135385947
US11161839, Example 11i
CID 135386079

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[1-methyl-2-oxo-4-(1-pyridin-2-ylethylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-4-[[1-methyl-2-oxo-4-(1-pyridin-2-ylethylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile (CID 135385330) is 2-chloro-4-[[1-methyl-2-oxo-4-(1-pyridin-2-ylethylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-4-[[1-methyl-2-oxo-4-(1-pyridin-2-ylethylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-4-[[1-methyl-2-oxo-4-(1-pyridin-2-ylethylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile is CC(Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1ccccn1.
What is the InChIKey of 2-chloro-4-[[1-methyl-2-oxo-4-(1-pyridin-2-ylethylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile?
The InChIKey is PELMLHFTWVSBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN6O/c1-14(18-5-3-4-9-26-18)28-20-12-22(31)30(2)21-7-6-15(11-16(20)21)29-19-8-10-27-23(24)17(19)13-25/h3-12,14,28H,1-2H3,(H,27,29).
What are the key properties of 2-chloro-4-[[1-methyl-2-oxo-4-(1-pyridin-2-ylethylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile?
2-chloro-4-[[1-methyl-2-oxo-4-(1-pyridin-2-ylethylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile has a molecular weight of 430.90 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[1-methyl-2-oxo-4-(1-pyridin-2-ylethylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 135385330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).