methane;methyl 3-methylquinoline-6-carboxylate;(3-methylquinolin-6-yl)methanol

C25H30N2O3 — CID 158164435

IUPACmethane;methyl 3-methylquinoline-6-carboxylate;(3-methylquinolin-6-yl)methanol
SMILESC.C.COC(=O)c1ccc2ncc(C)cc2c1.Cc1cnc2ccc(CO)cc2c1
InChIInChI=1S/C12H11NO2.C11H11NO.2CH4/c1-8-5-10-6-9(12(14)15-2)3-4-11(10)13-7-8;1-8-4-10-5-9(7-13)2-3-11(10)12-6-8;;/h3-7H,1-2H3;2-6,13H,7H2,1H3;2*1H4
InChIKeyFWRAWDMFJGERDH-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.64
Rot. Bonds2

About methane;methyl 3-methylquinoline-6-carboxylate;(3-methylquinolin-6-yl)methanol

methane;methyl 3-methylquinoline-6-carboxylate;(3-methylquinolin-6-yl)methanol (PubChem CID 158164435) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is methane;methyl 3-methylquinoline-6-carboxylate;(3-methylquinolin-6-yl)methanol.

Molecular Properties

Compound Namemethane;methyl 3-methylquinoline-6-carboxylate;(3-methylquinolin-6-yl)methanol
PubChem CID158164435
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Namemethane;methyl 3-methylquinoline-6-carboxylate;(3-methylquinolin-6-yl)methanol
SMILESC.C.COC(=O)c1ccc2ncc(C)cc2c1.Cc1cnc2ccc(CO)cc2c1
InChIInChI=1S/C12H11NO2.C11H11NO.2CH4/c1-8-5-10-6-9(12(14)15-2)3-4-11(10)13-7-8;1-8-4-10-5-9(7-13)2-3-11(10)12-6-8;;/h3-7H,1-2H3;2-6,13H,7H2,1H3;2*1H4
InChIKeyFWRAWDMFJGERDH-UHFFFAOYSA-N
XLogP5.64
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methylquinolin-6-yl)propanoic acid
CID 83886586
methyl 2-amino-3-[(4-methylphenyl)methoxy]quinoline-6-carboxylate
CID 159529266
methyl 6-sulfanylquinoline-3-carboxylate
CID 134532830
[1-[(3-methylquinolin-6-yl)methyl]cyclopropyl]methanol
CID 116997477
methyl 2-methylsulfonylquinoline-6-carboxylate;(2-methylsulfonylquinolin-6-yl)methanol;oxolane
CID 159187686
N-ethyl-2-(3-methylquinolin-6-yl)ethanamine
CID 116997407
methyl 3-(1-methylpyrazol-4-yl)quinoline-6-carboxylate
CID 141370295
ethane;methyl 2-hydroxy-4-imino-2-methyl-4-(3-methylquinolin-6-yl)butanoate
CID 144595385
[1-[(3-methylquinolin-6-yl)methyl]cyclobutyl]methanol
CID 116997484
methyl 2-chloroquinoxaline-6-carboxylate
CID 131395472
methyl 3-methyl-2-(3-methylquinolin-6-yl)butanoate
CID 116997841
methyl 4-(3-methyl-1,7-naphthyridin-5-yl)benzoate
CID 142527710

Frequently Asked Questions

What is the IUPAC name of methane;methyl 3-methylquinoline-6-carboxylate;(3-methylquinolin-6-yl)methanol?
The IUPAC name of methane;methyl 3-methylquinoline-6-carboxylate;(3-methylquinolin-6-yl)methanol (CID 158164435) is methane;methyl 3-methylquinoline-6-carboxylate;(3-methylquinolin-6-yl)methanol.
What is the SMILES notation for methane;methyl 3-methylquinoline-6-carboxylate;(3-methylquinolin-6-yl)methanol?
The canonical SMILES for methane;methyl 3-methylquinoline-6-carboxylate;(3-methylquinolin-6-yl)methanol is C.C.COC(=O)c1ccc2ncc(C)cc2c1.Cc1cnc2ccc(CO)cc2c1.
What is the InChIKey of methane;methyl 3-methylquinoline-6-carboxylate;(3-methylquinolin-6-yl)methanol?
The InChIKey is FWRAWDMFJGERDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2.C11H11NO.2CH4/c1-8-5-10-6-9(12(14)15-2)3-4-11(10)13-7-8;1-8-4-10-5-9(7-13)2-3-11(10)12-6-8;;/h3-7H,1-2H3;2-6,13H,7H2,1H3;2*1H4.
What are the key properties of methane;methyl 3-methylquinoline-6-carboxylate;(3-methylquinolin-6-yl)methanol?
methane;methyl 3-methylquinoline-6-carboxylate;(3-methylquinolin-6-yl)methanol has a molecular weight of 406.53 g/mol, XLogP of 5.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl 3-methylquinoline-6-carboxylate;(3-methylquinolin-6-yl)methanol is sourced from PubChem (CID 158164435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).