ethyl 6-chloro-8-methyl-4-(propylamino)quinoline-3-carboxylate

C16H19ClN2O2 — CID 63486439

IUPACethyl 6-chloro-8-methyl-4-(propylamino)quinoline-3-carboxylate
SMILESCCCNc1c(C(=O)OCC)cnc2c(C)cc(Cl)cc12
InChIInChI=1S/C16H19ClN2O2/c1-4-6-18-15-12-8-11(17)7-10(3)14(12)19-9-13(15)16(20)21-5-2/h7-9H,4-6H2,1-3H3,(H,18,19)
InChIKeyOASWLFIPMVODTF-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.20
Rot. Bonds5

About ethyl 6-chloro-8-methyl-4-(propylamino)quinoline-3-carboxylate

ethyl 6-chloro-8-methyl-4-(propylamino)quinoline-3-carboxylate (PubChem CID 63486439) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is ethyl 6-chloro-8-methyl-4-(propylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-8-methyl-4-(propylamino)quinoline-3-carboxylate
PubChem CID63486439
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Nameethyl 6-chloro-8-methyl-4-(propylamino)quinoline-3-carboxylate
SMILESCCCNc1c(C(=O)OCC)cnc2c(C)cc(Cl)cc12
InChIInChI=1S/C16H19ClN2O2/c1-4-6-18-15-12-8-11(17)7-10(3)14(12)19-9-13(15)16(20)21-5-2/h7-9H,4-6H2,1-3H3,(H,18,19)
InChIKeyOASWLFIPMVODTF-UHFFFAOYSA-N
XLogP4.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 8-bromo-6-chloro-4-(propylamino)quinoline-3-carboxylate
CID 81256553
3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]propyl-dimethylazanium
CID 3354209
ethyl 6-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate
CID 2791591
ethyl 6,8-difluoro-4-(propylamino)quinoline-3-carboxylate
CID 63486440
ethyl 6-chloro-8-methyl-4-(3-methylanilino)quinoline-3-carboxylate
CID 1186854
3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 2790542
ethyl 8-chloro-4-(ethylamino)-6-methylquinoline-3-carboxylate
CID 63486779
ethyl 8-chloro-4-(ethylamino)-6-fluoroquinoline-3-carboxylate
CID 63486784
ethyl 6,8-dichloro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate
CID 1189481
ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate
CID 3352918
methyl 4,6-dichloro-8-methylquinoline-3-carboxylate
CID 102614436
ethyl 5-chloro-4-(ethylamino)-8-methylquinoline-3-carboxylate
CID 63484840

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-8-methyl-4-(propylamino)quinoline-3-carboxylate?
The IUPAC name of ethyl 6-chloro-8-methyl-4-(propylamino)quinoline-3-carboxylate (CID 63486439) is ethyl 6-chloro-8-methyl-4-(propylamino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-8-methyl-4-(propylamino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-8-methyl-4-(propylamino)quinoline-3-carboxylate is CCCNc1c(C(=O)OCC)cnc2c(C)cc(Cl)cc12.
What is the InChIKey of ethyl 6-chloro-8-methyl-4-(propylamino)quinoline-3-carboxylate?
The InChIKey is OASWLFIPMVODTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-4-6-18-15-12-8-11(17)7-10(3)14(12)19-9-13(15)16(20)21-5-2/h7-9H,4-6H2,1-3H3,(H,18,19).
What are the key properties of ethyl 6-chloro-8-methyl-4-(propylamino)quinoline-3-carboxylate?
ethyl 6-chloro-8-methyl-4-(propylamino)quinoline-3-carboxylate has a molecular weight of 306.79 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-8-methyl-4-(propylamino)quinoline-3-carboxylate is sourced from PubChem (CID 63486439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).