2-chloro-4-[(4-morpholin-4-yl-2-oxo-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile

C19H16ClN5O2 — CID 166628782

IUPAC2-chloro-4-[(4-morpholin-4-yl-2-oxo-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile
SMILESN#Cc1c(Nc2ccc3[nH]c(=O)cc(N4CCOCC4)c3c2)ccnc1Cl
InChIInChI=1S/C19H16ClN5O2/c20-19-14(11-21)16(3-4-22-19)23-12-1-2-15-13(9-12)17(10-18(26)24-15)25-5-7-27-8-6-25/h1-4,9-10H,5-8H2,(H,22,23)(H,24,26)
InChIKeyHPISPCMULBBREF-UHFFFAOYSA-N
MW381.82 g/mol
LogP3.03
Rot. Bonds3

About 2-chloro-4-[(4-morpholin-4-yl-2-oxo-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile

2-chloro-4-[(4-morpholin-4-yl-2-oxo-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile (PubChem CID 166628782) has the molecular formula C19H16ClN5O2 and a molecular weight of 381.82 g/mol. Its IUPAC name is 2-chloro-4-[(4-morpholin-4-yl-2-oxo-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-4-[(4-morpholin-4-yl-2-oxo-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile
PubChem CID166628782
Molecular FormulaC19H16ClN5O2
Molecular Weight381.82 g/mol
Exact Mass381.10
IUPAC Name2-chloro-4-[(4-morpholin-4-yl-2-oxo-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile
SMILESN#Cc1c(Nc2ccc3[nH]c(=O)cc(N4CCOCC4)c3c2)ccnc1Cl
InChIInChI=1S/C19H16ClN5O2/c20-19-14(11-21)16(3-4-22-19)23-12-1-2-15-13(9-12)17(10-18(26)24-15)25-5-7-27-8-6-25/h1-4,9-10H,5-8H2,(H,22,23)(H,24,26)
InChIKeyHPISPCMULBBREF-UHFFFAOYSA-N
XLogP3.03
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-chloro-4-[(4-morpholin-4-yl-2-oxo-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

(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-5,6-dioxo-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinolin-10-yl]amino]pyridine-3-carbonitrile
CID 146171902
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
Bcl6-IN-9
CID 146172127
2-chloro-4-[[(2R)-2-cyclopropyl-7-methyl-6-oxo-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile
CID 146188987
(2S)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide
CID 162368332
N-[4-(3-Chloro-4-fluoro-phenylamino)-3-cyano-quinolin-6-yl]-2-morpholin-4-ylmethyl-acrylamide
CID 10885120
(E)-4-Morpholin-4-yl-but-2-enoic acid [4-(3-chloro-4-fluoro-phenylamino)-3-cyano-quinolin-6-yl]-amide
CID 10983483
US11161839, Example 3l
CID 135386472
2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-1-methyl-2-oxoquinolin-4-yl]amino]-N-methylpropanamide
CID 135386797
2-chloro-4-[[(2S)-2-cyclopropyl-7-methyl-6-oxo-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile
CID 146171933
2-Chloro-4-[(2-cyclopropyl-7-methyl-6-oxo-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl)amino]pyridine-3-carbonitrile
CID 146171934

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4-morpholin-4-yl-2-oxo-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-4-[(4-morpholin-4-yl-2-oxo-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile (CID 166628782) is 2-chloro-4-[(4-morpholin-4-yl-2-oxo-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-4-[(4-morpholin-4-yl-2-oxo-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-4-[(4-morpholin-4-yl-2-oxo-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile is N#Cc1c(Nc2ccc3[nH]c(=O)cc(N4CCOCC4)c3c2)ccnc1Cl.
What is the InChIKey of 2-chloro-4-[(4-morpholin-4-yl-2-oxo-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile?
The InChIKey is HPISPCMULBBREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O2/c20-19-14(11-21)16(3-4-22-19)23-12-1-2-15-13(9-12)17(10-18(26)24-15)25-5-7-27-8-6-25/h1-4,9-10H,5-8H2,(H,22,23)(H,24,26).
What are the key properties of 2-chloro-4-[(4-morpholin-4-yl-2-oxo-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile?
2-chloro-4-[(4-morpholin-4-yl-2-oxo-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile has a molecular weight of 381.82 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(4-morpholin-4-yl-2-oxo-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 166628782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).