methyl 4-amino-7-chloro-6-methylquinoline-3-carboxylate

C12H11ClN2O2 — CID 102614920

IUPACmethyl 4-amino-7-chloro-6-methylquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2cc(Cl)c(C)cc2c1N
InChIInChI=1S/C12H11ClN2O2/c1-6-3-7-10(4-9(6)13)15-5-8(11(7)14)12(16)17-2/h3-5H,1-2H3,(H2,14,15)
InChIKeyUJCCBZPMDQFMKA-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.57
Rot. Bonds1

About methyl 4-amino-7-chloro-6-methylquinoline-3-carboxylate

methyl 4-amino-7-chloro-6-methylquinoline-3-carboxylate (PubChem CID 102614920) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is methyl 4-amino-7-chloro-6-methylquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-7-chloro-6-methylquinoline-3-carboxylate
PubChem CID102614920
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Namemethyl 4-amino-7-chloro-6-methylquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2cc(Cl)c(C)cc2c1N
InChIInChI=1S/C12H11ClN2O2/c1-6-3-7-10(4-9(6)13)15-5-8(11(7)14)12(16)17-2/h3-5H,1-2H3,(H2,14,15)
InChIKeyUJCCBZPMDQFMKA-UHFFFAOYSA-N
XLogP2.57
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-amino-6-chloro-7-fluoroquinoline-3-carboxylate
CID 103996712
methyl 5-amino-3-chloroquinoline-6-carboxylate
CID 135277922
methyl 4-amino-6-phenylquinoline-3-carboxylate
CID 102614814
methyl 4-chloro-6,7-dimethoxyquinoline-3-carboxylate
CID 102614410
ethyl 4-amino-7-chloroquinoline-3-carboxylate
CID 609428
diethyl 4-aminoquinoline-3,6-dicarboxylate
CID 17028175
methyl 4,6-dichloro-8-methylquinoline-3-carboxylate
CID 102614436
methyl 4-amino-6-fluoro-8-methoxyquinoline-3-carboxylate
CID 102614869
methyl 4-amino-8-bromo-6-fluoroquinoline-3-carboxylate
CID 102614854
methyl 3,7-dichloroquinoline-6-carboxylate
CID 57210389
ethyl 4-amino-6-[(4-chlorobenzoyl)amino]quinoline-3-carboxylate
CID 39851604
methyl 4-chloro-5,6-dimethylpyridine-3-carboxylate
CID 154578056

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-7-chloro-6-methylquinoline-3-carboxylate?
The IUPAC name of methyl 4-amino-7-chloro-6-methylquinoline-3-carboxylate (CID 102614920) is methyl 4-amino-7-chloro-6-methylquinoline-3-carboxylate.
What is the SMILES notation for methyl 4-amino-7-chloro-6-methylquinoline-3-carboxylate?
The canonical SMILES for methyl 4-amino-7-chloro-6-methylquinoline-3-carboxylate is COC(=O)c1cnc2cc(Cl)c(C)cc2c1N.
What is the InChIKey of methyl 4-amino-7-chloro-6-methylquinoline-3-carboxylate?
The InChIKey is UJCCBZPMDQFMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-6-3-7-10(4-9(6)13)15-5-8(11(7)14)12(16)17-2/h3-5H,1-2H3,(H2,14,15).
What are the key properties of methyl 4-amino-7-chloro-6-methylquinoline-3-carboxylate?
methyl 4-amino-7-chloro-6-methylquinoline-3-carboxylate has a molecular weight of 250.69 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-7-chloro-6-methylquinoline-3-carboxylate is sourced from PubChem (CID 102614920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).