2-chloro-4-[[4-[1-(2-methoxyethoxy)propan-2-ylamino]-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile

C22H24ClN5O3 — CID 135386554

IUPAC2-chloro-4-[[4-[1-(2-methoxyethoxy)propan-2-ylamino]-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile
SMILESCOCCOCC(C)Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12
InChIInChI=1S/C22H24ClN5O3/c1-14(13-31-9-8-30-3)26-19-11-21(29)28(2)20-5-4-15(10-16(19)20)27-18-6-7-25-22(23)17(18)12-24/h4-7,10-11,14,26H,8-9,13H2,1-3H3,(H,25,27)
InChIKeyMFTQJRMOHSGUIC-UHFFFAOYSA-N
MW441.92 g/mol
LogP3.67
Rot. Bonds9

About 2-chloro-4-[[4-[1-(2-methoxyethoxy)propan-2-ylamino]-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile

2-chloro-4-[[4-[1-(2-methoxyethoxy)propan-2-ylamino]-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile (PubChem CID 135386554) has the molecular formula C22H24ClN5O3 and a molecular weight of 441.92 g/mol. Its IUPAC name is 2-chloro-4-[[4-[1-(2-methoxyethoxy)propan-2-ylamino]-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-4-[[4-[1-(2-methoxyethoxy)propan-2-ylamino]-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile
PubChem CID135386554
Molecular FormulaC22H24ClN5O3
Molecular Weight441.92 g/mol
Exact Mass441.16
IUPAC Name2-chloro-4-[[4-[1-(2-methoxyethoxy)propan-2-ylamino]-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile
SMILESCOCCOCC(C)Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12
InChIInChI=1S/C22H24ClN5O3/c1-14(13-31-9-8-30-3)26-19-11-21(29)28(2)20-5-4-15(10-16(19)20)27-18-6-7-25-22(23)17(18)12-24/h4-7,10-11,14,26H,8-9,13H2,1-3H3,(H,25,27)
InChIKeyMFTQJRMOHSGUIC-UHFFFAOYSA-N
XLogP3.67
TPSA101.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-chloro-4-[[4-[1-(2-methoxyethoxy)propan-2-ylamino]-1-methyl-2-oxoquinolin-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
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
US11161839, Example 1p
CID 135387020
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
US20230287003, Example 1c
CID 146172016

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[4-[1-(2-methoxyethoxy)propan-2-ylamino]-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-4-[[4-[1-(2-methoxyethoxy)propan-2-ylamino]-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile (CID 135386554) is 2-chloro-4-[[4-[1-(2-methoxyethoxy)propan-2-ylamino]-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-4-[[4-[1-(2-methoxyethoxy)propan-2-ylamino]-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-4-[[4-[1-(2-methoxyethoxy)propan-2-ylamino]-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile is COCCOCC(C)Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12.
What is the InChIKey of 2-chloro-4-[[4-[1-(2-methoxyethoxy)propan-2-ylamino]-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile?
The InChIKey is MFTQJRMOHSGUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O3/c1-14(13-31-9-8-30-3)26-19-11-21(29)28(2)20-5-4-15(10-16(19)20)27-18-6-7-25-22(23)17(18)12-24/h4-7,10-11,14,26H,8-9,13H2,1-3H3,(H,25,27).
What are the key properties of 2-chloro-4-[[4-[1-(2-methoxyethoxy)propan-2-ylamino]-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile?
2-chloro-4-[[4-[1-(2-methoxyethoxy)propan-2-ylamino]-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile has a molecular weight of 441.92 g/mol, XLogP of 3.67, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[4-[1-(2-methoxyethoxy)propan-2-ylamino]-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 135386554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).