(2,4-dimethylphenyl) 6-methoxyquinoline-2-carboxylate

C19H17NO3 — CID 24586178

IUPAC(2,4-dimethylphenyl) 6-methoxyquinoline-2-carboxylate
SMILESCOc1ccc2nc(C(=O)Oc3ccc(C)cc3C)ccc2c1
InChIInChI=1S/C19H17NO3/c1-12-4-9-18(13(2)10-12)23-19(21)17-7-5-14-11-15(22-3)6-8-16(14)20-17/h4-11H,1-3H3
InChIKeyRNHMVKWPCNWHTP-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.08
Rot. Bonds3

About (2,4-dimethylphenyl) 6-methoxyquinoline-2-carboxylate

(2,4-dimethylphenyl) 6-methoxyquinoline-2-carboxylate (PubChem CID 24586178) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is (2,4-dimethylphenyl) 6-methoxyquinoline-2-carboxylate.

Molecular Properties

Compound Name(2,4-dimethylphenyl) 6-methoxyquinoline-2-carboxylate
PubChem CID24586178
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name(2,4-dimethylphenyl) 6-methoxyquinoline-2-carboxylate
SMILESCOc1ccc2nc(C(=O)Oc3ccc(C)cc3C)ccc2c1
InChIInChI=1S/C19H17NO3/c1-12-4-9-18(13(2)10-12)23-19(21)17-7-5-14-11-15(22-3)6-8-16(14)20-17/h4-11H,1-3H3
InChIKeyRNHMVKWPCNWHTP-UHFFFAOYSA-N
XLogP4.08
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

naphthalen-1-yl 6-methoxyquinoline-2-carboxylate
CID 24585728
[4-(2,4-dimethylphenoxy)carbonylphenyl] 4-methoxybenzoate;sulfane
CID 144914302
methyl 6-acetyloxyquinoline-2-carboxylate
CID 90723488
cyclohexyl 6-methoxyquinoline-2-carboxylate
CID 24585683
6-methoxy-N-[(4-methylphenyl)-phenylmethyl]quinoline-2-carboxamide
CID 47016616
N-(5-chloro-2-methoxyphenyl)-6-methoxyquinoline-2-carboxamide
CID 33314112
[4-[(2,4-dimethylphenyl)diazenyl]-2-methylphenyl] 4-methoxybenzoate
CID 102345178
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 6-methoxyquinoline-2-carboxylate
CID 166246631
2-(2,4-dimethylphenyl)-6-methoxy-3-methylquinoline
CID 58871203
N-[(2R)-2-hydroxypropyl]-6-methoxy-N-methylquinoline-2-carboxamide
CID 95972027
(2,4-dimethylphenyl) pyridine-4-carboxylate
CID 836824
N-(5-chloro-2,4-dimethoxyphenyl)-6-methoxyquinoline-2-carboxamide
CID 33316078

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl) 6-methoxyquinoline-2-carboxylate?
The IUPAC name of (2,4-dimethylphenyl) 6-methoxyquinoline-2-carboxylate (CID 24586178) is (2,4-dimethylphenyl) 6-methoxyquinoline-2-carboxylate.
What is the SMILES notation for (2,4-dimethylphenyl) 6-methoxyquinoline-2-carboxylate?
The canonical SMILES for (2,4-dimethylphenyl) 6-methoxyquinoline-2-carboxylate is COc1ccc2nc(C(=O)Oc3ccc(C)cc3C)ccc2c1.
What is the InChIKey of (2,4-dimethylphenyl) 6-methoxyquinoline-2-carboxylate?
The InChIKey is RNHMVKWPCNWHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-12-4-9-18(13(2)10-12)23-19(21)17-7-5-14-11-15(22-3)6-8-16(14)20-17/h4-11H,1-3H3.
What are the key properties of (2,4-dimethylphenyl) 6-methoxyquinoline-2-carboxylate?
(2,4-dimethylphenyl) 6-methoxyquinoline-2-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl) 6-methoxyquinoline-2-carboxylate is sourced from PubChem (CID 24586178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).