ethyl 6-chloro-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate;hydrochloride

C18H23Cl2N3O2 — CID 2915173

IUPACethyl 6-chloro-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2c(C)cc(Cl)cc2c1N1CCN(C)CC1.Cl
InChIInChI=1S/C18H22ClN3O2.ClH/c1-4-24-18(23)15-11-20-16-12(2)9-13(19)10-14(16)17(15)22-7-5-21(3)6-8-22;/h9-11H,4-8H2,1-3H3;1H
InChIKeyFEPYCESRYNMBEQ-UHFFFAOYSA-N
MW384.31 g/mol
LogP3.55
Rot. Bonds3

About ethyl 6-chloro-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate;hydrochloride

ethyl 6-chloro-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate;hydrochloride (PubChem CID 2915173) has the molecular formula C18H23Cl2N3O2 and a molecular weight of 384.31 g/mol. Its IUPAC name is ethyl 6-chloro-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 6-chloro-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate;hydrochloride
PubChem CID2915173
Molecular FormulaC18H23Cl2N3O2
Molecular Weight384.31 g/mol
Exact Mass383.12
IUPAC Nameethyl 6-chloro-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2c(C)cc(Cl)cc2c1N1CCN(C)CC1.Cl
InChIInChI=1S/C18H22ClN3O2.ClH/c1-4-24-18(23)15-11-20-16-12(2)9-13(19)10-14(16)17(15)22-7-5-21(3)6-8-22;/h9-11H,4-8H2,1-3H3;1H
InChIKeyFEPYCESRYNMBEQ-UHFFFAOYSA-N
XLogP3.55
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 1568488
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CID 1643514
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CID 625232
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CID 629761
CID 629761
CID 268963
CID 268963
CID 696527
CID 696527
CID 1569301
CID 1569301
CID 13038515
CID 13038515
CID 1479087
CID 1479087
CID 702832
CID 702832
CID 725469
CID 725469
CID 1078338
CID 1078338

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 6-chloro-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate;hydrochloride (CID 2915173) is ethyl 6-chloro-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 6-chloro-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 6-chloro-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate;hydrochloride is CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1N1CCN(C)CC1.Cl.
What is the InChIKey of ethyl 6-chloro-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate;hydrochloride?
The InChIKey is FEPYCESRYNMBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2.ClH/c1-4-24-18(23)15-11-20-16-12(2)9-13(19)10-14(16)17(15)22-7-5-21(3)6-8-22;/h9-11H,4-8H2,1-3H3;1H.
What are the key properties of ethyl 6-chloro-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate;hydrochloride?
ethyl 6-chloro-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate;hydrochloride has a molecular weight of 384.31 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate;hydrochloride is sourced from PubChem (CID 2915173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).