methyl 1-[(2-methylquinolin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxylate

C22H22N2O2 — CID 71844832

IUPACmethyl 1-[(2-methylquinolin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCCN2Cc1cc(C)nc2ccccc12
InChIInChI=1S/C22H22N2O2/c1-15-12-18(19-7-3-4-8-20(19)23-15)14-24-11-5-6-16-13-17(22(25)26-2)9-10-21(16)24/h3-4,7-10,12-13H,5-6,11,14H2,1-2H3
InChIKeyKKMMHTPKUAURDY-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.28
Rot. Bonds3

About methyl 1-[(2-methylquinolin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxylate

methyl 1-[(2-methylquinolin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxylate (PubChem CID 71844832) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is methyl 1-[(2-methylquinolin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-methylquinolin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxylate
PubChem CID71844832
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Namemethyl 1-[(2-methylquinolin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCCN2Cc1cc(C)nc2ccccc12
InChIInChI=1S/C22H22N2O2/c1-15-12-18(19-7-3-4-8-20(19)23-15)14-24-11-5-6-16-13-17(22(25)26-2)9-10-21(16)24/h3-4,7-10,12-13H,5-6,11,14H2,1-2H3
InChIKeyKKMMHTPKUAURDY-UHFFFAOYSA-N
XLogP4.28
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-[(2-methylquinolin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxylate with MolForge

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Related Compounds

methyl 4-[(2-methylquinolin-4-yl)methyl]benzoate
CID 22282550
methyl 1-[(3-methyltriazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepine-7-carboxylate
CID 136574028
methyl 1-[(2-methylquinolin-4-yl)methyl]pyrrolidine-2-carboxylate
CID 78995219
5-bromo-1-[(2-methylquinolin-4-yl)methyl]pyrrole-3-carboxylic acid
CID 79231432
methyl 1-ethyl-3,4-dihydro-2H-quinoline-7-carboxylate
CID 134691949
methyl 3-hydroxy-4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]naphthalene-2-carboxylate
CID 71844842
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450
methyl 4-chloro-3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]benzoate
CID 46771711
2-[[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methyl]quinazolin-4-amine
CID 37203435
(2-methylquinolin-4-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840743
methyl 4-anilino-2-methylquinoline-6-carboxylate
CID 730938

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-methylquinolin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxylate?
The IUPAC name of methyl 1-[(2-methylquinolin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxylate (CID 71844832) is methyl 1-[(2-methylquinolin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxylate.
What is the SMILES notation for methyl 1-[(2-methylquinolin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxylate?
The canonical SMILES for methyl 1-[(2-methylquinolin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxylate is COC(=O)c1ccc2c(c1)CCCN2Cc1cc(C)nc2ccccc12.
What is the InChIKey of methyl 1-[(2-methylquinolin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxylate?
The InChIKey is KKMMHTPKUAURDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-15-12-18(19-7-3-4-8-20(19)23-15)14-24-11-5-6-16-13-17(22(25)26-2)9-10-21(16)24/h3-4,7-10,12-13H,5-6,11,14H2,1-2H3.
What are the key properties of methyl 1-[(2-methylquinolin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxylate?
methyl 1-[(2-methylquinolin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxylate has a molecular weight of 346.43 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2-methylquinolin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxylate is sourced from PubChem (CID 71844832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).