propan-2-yl 2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylate

C20H24N2O3 — CID 133469086

IUPACpropan-2-yl 2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylate
SMILESCCOc1ccc2c(c1)CN(c1ncccc1C(=O)OC(C)C)CC2
InChIInChI=1S/C20H24N2O3/c1-4-24-17-8-7-15-9-11-22(13-16(15)12-17)19-18(6-5-10-21-19)20(23)25-14(2)3/h5-8,10,12,14H,4,9,11,13H2,1-3H3
InChIKeySIYCKSBCVWTHQK-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.61
Rot. Bonds5

About propan-2-yl 2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylate

propan-2-yl 2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylate (PubChem CID 133469086) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is propan-2-yl 2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylate
PubChem CID133469086
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namepropan-2-yl 2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylate
SMILESCCOc1ccc2c(c1)CN(c1ncccc1C(=O)OC(C)C)CC2
InChIInChI=1S/C20H24N2O3/c1-4-24-17-8-7-15-9-11-22(13-16(15)12-17)19-18(6-5-10-21-19)20(23)25-14(2)3/h5-8,10,12,14H,4,9,11,13H2,1-3H3
InChIKeySIYCKSBCVWTHQK-UHFFFAOYSA-N
XLogP3.61
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 2-[4-[[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 67322731
2-(3,6-dimethylpyrazin-2-yl)-7-ethoxy-3,4-dihydro-1H-isoquinoline
CID 133469063
propan-2-yl 2-[4-[[4-[(4-methoxyphenyl)methyl]phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 159232746
ethyl 2-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylate
CID 133471518
propan-2-yl 2-[4-[(4-aminophenyl)methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 67324124
7-ethoxy-N-pyridin-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86869103
propan-2-yl 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 53340242
propan-2-yl 2-[4-[[4-[(3,4-dimethoxyphenyl)methoxy]phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 67322918
propan-2-yl 2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 133470036
propan-2-yl 2-[4-[[3-[(4-cyanophenoxy)methyl]phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 67323388
propan-2-yl 2-[3-[(5-ethylthiophen-2-yl)methyl-methylarsanyl]pyrrolidin-1-yl]pyridine-3-carboxylate
CID 87376536
propan-2-yl 2-[(3S)-3-[(4-ethylphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxylate
CID 67323448

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylate?
The IUPAC name of propan-2-yl 2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylate (CID 133469086) is propan-2-yl 2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylate is CCOc1ccc2c(c1)CN(c1ncccc1C(=O)OC(C)C)CC2.
What is the InChIKey of propan-2-yl 2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylate?
The InChIKey is SIYCKSBCVWTHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-24-17-8-7-15-9-11-22(13-16(15)12-17)19-18(6-5-10-21-19)20(23)25-14(2)3/h5-8,10,12,14H,4,9,11,13H2,1-3H3.
What are the key properties of propan-2-yl 2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylate?
propan-2-yl 2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylate has a molecular weight of 340.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylate is sourced from PubChem (CID 133469086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).