methyl 4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylate

C19H20N2O3 — CID 71975350

IUPACmethyl 4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylate
SMILESCCC1c2ccccc2CCN1C(=O)c1ccnc(C(=O)OC)c1
InChIInChI=1S/C19H20N2O3/c1-3-17-15-7-5-4-6-13(15)9-11-21(17)18(22)14-8-10-20-16(12-14)19(23)24-2/h4-8,10,12,17H,3,9,11H2,1-2H3
InChIKeyBSFUTUIJNUGEHJ-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.02
Rot. Bonds3

About methyl 4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylate

methyl 4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylate (PubChem CID 71975350) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is methyl 4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylate
PubChem CID71975350
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namemethyl 4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylate
SMILESCCC1c2ccccc2CCN1C(=O)c1ccnc(C(=O)OC)c1
InChIInChI=1S/C19H20N2O3/c1-3-17-15-7-5-4-6-13(15)9-11-21(17)18(22)14-8-10-20-16(12-14)19(23)24-2/h4-8,10,12,17H,3,9,11H2,1-2H3
InChIKeyBSFUTUIJNUGEHJ-UHFFFAOYSA-N
XLogP3.02
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylate (CID 71975350) is methyl 4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylate is CCC1c2ccccc2CCN1C(=O)c1ccnc(C(=O)OC)c1.
What is the InChIKey of methyl 4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylate?
The InChIKey is BSFUTUIJNUGEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-17-15-7-5-4-6-13(15)9-11-21(17)18(22)14-8-10-20-16(12-14)19(23)24-2/h4-8,10,12,17H,3,9,11H2,1-2H3.
What are the key properties of methyl 4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylate?
methyl 4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylate has a molecular weight of 324.38 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylate is sourced from PubChem (CID 71975350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).