methyl 4-[(4-chloroquinolin-2-yl)methyl]benzoate

C18H14ClNO2 — CID 10543090

IUPACmethyl 4-[(4-chloroquinolin-2-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(Cc2cc(Cl)c3ccccc3n2)cc1
InChIInChI=1S/C18H14ClNO2/c1-22-18(21)13-8-6-12(7-9-13)10-14-11-16(19)15-4-2-3-5-17(15)20-14/h2-9,11H,10H2,1H3
InChIKeyMFSOXIAFXUCBOL-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.27
Rot. Bonds3

About methyl 4-[(4-chloroquinolin-2-yl)methyl]benzoate

methyl 4-[(4-chloroquinolin-2-yl)methyl]benzoate (PubChem CID 10543090) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is methyl 4-[(4-chloroquinolin-2-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-chloroquinolin-2-yl)methyl]benzoate
PubChem CID10543090
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC Namemethyl 4-[(4-chloroquinolin-2-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(Cc2cc(Cl)c3ccccc3n2)cc1
InChIInChI=1S/C18H14ClNO2/c1-22-18(21)13-8-6-12(7-9-13)10-14-11-16(19)15-4-2-3-5-17(15)20-14/h2-9,11H,10H2,1H3
InChIKeyMFSOXIAFXUCBOL-UHFFFAOYSA-N
XLogP4.27
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(2-methylquinolin-4-yl)methyl]benzoate
CID 22282550
methyl 4-[(4-methylquinolin-2-yl)sulfanylmethyl]benzoate
CID 4543518
methyl 4-[(2-methoxyquinolin-3-yl)methyl]benzoate
CID 166457894
methyl 4-benzoyloxy-3-chlorobenzoate
CID 47098649
3-(4-chloroquinolin-2-yl)-2-[(4-chloroquinolin-2-yl)methyl]-1-phenylpropan-1-one
CID 132915470
(4-methoxycarbonylphenyl)methyl 2-phenylquinoline-4-carboxylate
CID 7866939
methyl 2-chloroquinoline-4-carboxylate
CID 5202936
(4-methoxycarbonylphenyl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3995735
4-chloro-N-(1-methoxypropan-2-yl)quinoline-2-carboxamide
CID 55184889
methyl 4-(1,8-naphthyridin-2-ylmethyl)benzoate
CID 134944004
methyl 2-benzyl-3H-benzimidazole-5-carboxylate
CID 4915686
4-methylpentan-2-yl 4-chloroquinoline-2-carboxylate
CID 63839691

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-chloroquinolin-2-yl)methyl]benzoate?
The IUPAC name of methyl 4-[(4-chloroquinolin-2-yl)methyl]benzoate (CID 10543090) is methyl 4-[(4-chloroquinolin-2-yl)methyl]benzoate.
What is the SMILES notation for methyl 4-[(4-chloroquinolin-2-yl)methyl]benzoate?
The canonical SMILES for methyl 4-[(4-chloroquinolin-2-yl)methyl]benzoate is COC(=O)c1ccc(Cc2cc(Cl)c3ccccc3n2)cc1.
What is the InChIKey of methyl 4-[(4-chloroquinolin-2-yl)methyl]benzoate?
The InChIKey is MFSOXIAFXUCBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c1-22-18(21)13-8-6-12(7-9-13)10-14-11-16(19)15-4-2-3-5-17(15)20-14/h2-9,11H,10H2,1H3.
What are the key properties of methyl 4-[(4-chloroquinolin-2-yl)methyl]benzoate?
methyl 4-[(4-chloroquinolin-2-yl)methyl]benzoate has a molecular weight of 311.77 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-chloroquinolin-2-yl)methyl]benzoate is sourced from PubChem (CID 10543090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).