4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-[2-[4-hydroxy-1-(2-hydroxyethyl)cyclohexyl]ethylamino]-6-methoxyquinoline-3-carbonitrile;formaldehyde

C35H40ClN5O5 — CID 177021267

IUPAC4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-[2-[4-hydroxy-1-(2-hydroxyethyl)cyclohexyl]ethylamino]-6-methoxyquinoline-3-carbonitrile;formaldehyde
SMILESC=O.COc1cc2c(Nc3ccc(OCc4ncccc4C)cc3Cl)c(C#N)cnc2cc1NCCC1(CCO)CCC(O)CC1
InChIInChI=1S/C34H38ClN5O4.CH2O/c1-22-4-3-13-37-31(22)21-44-25-5-6-28(27(35)16-25)40-33-23(19-36)20-39-29-18-30(32(43-2)17-26(29)33)38-14-11-34(12-15-41)9-7-24(42)8-10-34;1-2/h3-6,13,16-18,20,24,38,41-42H,7-12,14-15,21H2,1-2H3,(H,39,40);1H2
InChIKeyOQHIPOWQNUNPSS-UHFFFAOYSA-N
MW646.19 g/mol
LogP6.72
Rot. Bonds12

About 4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-[2-[4-hydroxy-1-(2-hydroxyethyl)cyclohexyl]ethylamino]-6-methoxyquinoline-3-carbonitrile;formaldehyde

4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-[2-[4-hydroxy-1-(2-hydroxyethyl)cyclohexyl]ethylamino]-6-methoxyquinoline-3-carbonitrile;formaldehyde (PubChem CID 177021267) has the molecular formula C35H40ClN5O5 and a molecular weight of 646.19 g/mol. Its IUPAC name is 4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-[2-[4-hydroxy-1-(2-hydroxyethyl)cyclohexyl]ethylamino]-6-methoxyquinoline-3-carbonitrile;formaldehyde.

Molecular Properties

Compound Name4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-[2-[4-hydroxy-1-(2-hydroxyethyl)cyclohexyl]ethylamino]-6-methoxyquinoline-3-carbonitrile;formaldehyde
PubChem CID177021267
Molecular FormulaC35H40ClN5O5
Molecular Weight646.19 g/mol
Exact Mass645.27
IUPAC Name4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-[2-[4-hydroxy-1-(2-hydroxyethyl)cyclohexyl]ethylamino]-6-methoxyquinoline-3-carbonitrile;formaldehyde
SMILESC=O.COc1cc2c(Nc3ccc(OCc4ncccc4C)cc3Cl)c(C#N)cnc2cc1NCCC1(CCO)CCC(O)CC1
InChIInChI=1S/C34H38ClN5O4.CH2O/c1-22-4-3-13-37-31(22)21-44-25-5-6-28(27(35)16-25)40-33-23(19-36)20-39-29-18-30(32(43-2)17-26(29)33)38-14-11-34(12-15-41)9-7-24(42)8-10-34;1-2/h3-6,13,16-18,20,24,38,41-42H,7-12,14-15,21H2,1-2H3,(H,39,40);1H2
InChIKeyOQHIPOWQNUNPSS-UHFFFAOYSA-N
XLogP6.72
TPSA149.62 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.19
LogP ≤ 56.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-[2-[4-hydroxy-1-(2-hydroxyethyl)cyclohexyl]ethylamino]-6-methoxyquinoline-3-carbonitrile;formaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(7-azaspiro[3.5]nonan-2-yloxy)-4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-6-methoxyquinoline-3-carbonitrile
CID 177021103
[4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-6-methoxyquinolin-7-yl] 3-ethyl-4-hydroxy-5-methylpiperidine-1-carboxylate
CID 177021099
[4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-6-methoxyquinolin-7-yl] 4-ethylpiperazine-1-carboxylate
CID 177021298
[4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-6-methoxyquinolin-7-yl] (2R)-4-ethyl-2,5,5-trimethylpiperazine-1-carboxylate
CID 177021130
[4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyano-6-methoxyquinolin-7-yl] 2,5,5-trimethylpiperazine-1-carboxylate
CID 177021243
N-[7-(8-azaspiro[4.5]decan-3-ylmethoxy)-4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-3-cyanoquinolin-6-yl]acetamide
CID 177021133
7-(7-azaspiro[3.5]nonan-2-ylmethoxy)-4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinoline-3-carbonitrile
CID 177021342
N-[4-[2-chloro-4-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]anilino]-3-cyano-7-methylquinolin-6-yl]-4-(dimethylamino)butanamide
CID 159239064
N-[3-cyano-7-ethoxy-4-[2-methyl-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinolin-6-yl]-4-(dimethylamino)butanamide
CID 145220722
4-(2-chloro-5-methoxy-4-methylanilino)-8-[2-(4-hydroxypiperidin-1-yl)ethoxy]-7-methoxybenzo[g]quinoline-3-carbonitrile
CID 5330441
4-(2-chloro-5-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328916
4-(2,3-dichloroanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328902

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-[2-[4-hydroxy-1-(2-hydroxyethyl)cyclohexyl]ethylamino]-6-methoxyquinoline-3-carbonitrile;formaldehyde?
The IUPAC name of 4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-[2-[4-hydroxy-1-(2-hydroxyethyl)cyclohexyl]ethylamino]-6-methoxyquinoline-3-carbonitrile;formaldehyde (CID 177021267) is 4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-[2-[4-hydroxy-1-(2-hydroxyethyl)cyclohexyl]ethylamino]-6-methoxyquinoline-3-carbonitrile;formaldehyde.
What is the SMILES notation for 4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-[2-[4-hydroxy-1-(2-hydroxyethyl)cyclohexyl]ethylamino]-6-methoxyquinoline-3-carbonitrile;formaldehyde?
The canonical SMILES for 4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-[2-[4-hydroxy-1-(2-hydroxyethyl)cyclohexyl]ethylamino]-6-methoxyquinoline-3-carbonitrile;formaldehyde is C=O.COc1cc2c(Nc3ccc(OCc4ncccc4C)cc3Cl)c(C#N)cnc2cc1NCCC1(CCO)CCC(O)CC1.
What is the InChIKey of 4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-[2-[4-hydroxy-1-(2-hydroxyethyl)cyclohexyl]ethylamino]-6-methoxyquinoline-3-carbonitrile;formaldehyde?
The InChIKey is OQHIPOWQNUNPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38ClN5O4.CH2O/c1-22-4-3-13-37-31(22)21-44-25-5-6-28(27(35)16-25)40-33-23(19-36)20-39-29-18-30(32(43-2)17-26(29)33)38-14-11-34(12-15-41)9-7-24(42)8-10-34;1-2/h3-6,13,16-18,20,24,38,41-42H,7-12,14-15,21H2,1-2H3,(H,39,40);1H2.
What are the key properties of 4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-[2-[4-hydroxy-1-(2-hydroxyethyl)cyclohexyl]ethylamino]-6-methoxyquinoline-3-carbonitrile;formaldehyde?
4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-[2-[4-hydroxy-1-(2-hydroxyethyl)cyclohexyl]ethylamino]-6-methoxyquinoline-3-carbonitrile;formaldehyde has a molecular weight of 646.19 g/mol, XLogP of 6.72, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-7-[2-[4-hydroxy-1-(2-hydroxyethyl)cyclohexyl]ethylamino]-6-methoxyquinoline-3-carbonitrile;formaldehyde is sourced from PubChem (CID 177021267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).