ethyl 7-chloro-6-methoxy-4-[(4-methylpiperazin-1-yl)methyl]quinoline-2-carboxylate

C19H24ClN3O3 — CID 70243742

IUPACethyl 7-chloro-6-methoxy-4-[(4-methylpiperazin-1-yl)methyl]quinoline-2-carboxylate
SMILESCCOC(=O)c1cc(CN2CCN(C)CC2)c2cc(OC)c(Cl)cc2n1
InChIInChI=1S/C19H24ClN3O3/c1-4-26-19(24)17-9-13(12-23-7-5-22(2)6-8-23)14-10-18(25-3)15(20)11-16(14)21-17/h9-11H,4-8,12H2,1-3H3
InChIKeyQYUKJBCJWDKHNQ-UHFFFAOYSA-N
MW377.87 g/mol
LogP2.82
Rot. Bonds5

About ethyl 7-chloro-6-methoxy-4-[(4-methylpiperazin-1-yl)methyl]quinoline-2-carboxylate

ethyl 7-chloro-6-methoxy-4-[(4-methylpiperazin-1-yl)methyl]quinoline-2-carboxylate (PubChem CID 70243742) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is ethyl 7-chloro-6-methoxy-4-[(4-methylpiperazin-1-yl)methyl]quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-6-methoxy-4-[(4-methylpiperazin-1-yl)methyl]quinoline-2-carboxylate
PubChem CID70243742
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Nameethyl 7-chloro-6-methoxy-4-[(4-methylpiperazin-1-yl)methyl]quinoline-2-carboxylate
SMILESCCOC(=O)c1cc(CN2CCN(C)CC2)c2cc(OC)c(Cl)cc2n1
InChIInChI=1S/C19H24ClN3O3/c1-4-26-19(24)17-9-13(12-23-7-5-22(2)6-8-23)14-10-18(25-3)15(20)11-16(14)21-17/h9-11H,4-8,12H2,1-3H3
InChIKeyQYUKJBCJWDKHNQ-UHFFFAOYSA-N
XLogP2.82
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 7-chloro-6-methoxy-4-[(4-methylpiperazin-1-yl)methyl]quinoline-2-carboxylate with MolForge

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Related Compounds

ethyl 4-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]quinoline-2-carboxylate
CID 71014156
ethyl 5-chloro-4-methoxy-6-(methylaminomethyl)pyridine-2-carboxylate
CID 139502060
7-chloro-4-methoxy-6-methylquinoline-2-carboxylic acid
CID 102942140
ethyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134663138
ethyl 5-[2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-2H-triazole-4-carboxylate
CID 169400692
ethyl 2-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)acetate
CID 143225852
ethyl 3-methoxy-4-[(4-methylpiperazin-1-yl)methoxy]benzoate
CID 139983317
ethyl 1-(5-chloro-2,4-dimethoxyphenyl)triazole-4-carboxylate
CID 122241457
ethyl 7-chloro-6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 54773034
ethyl 7-chloro-4-(dimethylamino)-6-methoxyquinoline-3-carboxylate
CID 54772978
4,6-dichloro-7-methoxyquinoline-2-carboxylic acid
CID 107623316
methyl 4-chloro-6,7-dimethoxyquinoline-2-carboxylate
CID 63376981

Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-6-methoxy-4-[(4-methylpiperazin-1-yl)methyl]quinoline-2-carboxylate?
The IUPAC name of ethyl 7-chloro-6-methoxy-4-[(4-methylpiperazin-1-yl)methyl]quinoline-2-carboxylate (CID 70243742) is ethyl 7-chloro-6-methoxy-4-[(4-methylpiperazin-1-yl)methyl]quinoline-2-carboxylate.
What is the SMILES notation for ethyl 7-chloro-6-methoxy-4-[(4-methylpiperazin-1-yl)methyl]quinoline-2-carboxylate?
The canonical SMILES for ethyl 7-chloro-6-methoxy-4-[(4-methylpiperazin-1-yl)methyl]quinoline-2-carboxylate is CCOC(=O)c1cc(CN2CCN(C)CC2)c2cc(OC)c(Cl)cc2n1.
What is the InChIKey of ethyl 7-chloro-6-methoxy-4-[(4-methylpiperazin-1-yl)methyl]quinoline-2-carboxylate?
The InChIKey is QYUKJBCJWDKHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-4-26-19(24)17-9-13(12-23-7-5-22(2)6-8-23)14-10-18(25-3)15(20)11-16(14)21-17/h9-11H,4-8,12H2,1-3H3.
What are the key properties of ethyl 7-chloro-6-methoxy-4-[(4-methylpiperazin-1-yl)methyl]quinoline-2-carboxylate?
ethyl 7-chloro-6-methoxy-4-[(4-methylpiperazin-1-yl)methyl]quinoline-2-carboxylate has a molecular weight of 377.87 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-6-methoxy-4-[(4-methylpiperazin-1-yl)methyl]quinoline-2-carboxylate is sourced from PubChem (CID 70243742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).