5-(2-methoxyphenyl)-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine

C22H29N3O — CID 154176171

IUPAC5-(2-methoxyphenyl)-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine
SMILESCOc1ccccc1C1c2cccnc2CCN1CCC1CCCN1C
InChIInChI=1S/C22H29N3O/c1-24-14-6-7-17(24)11-15-25-16-12-20-18(9-5-13-23-20)22(25)19-8-3-4-10-21(19)26-2/h3-5,8-10,13,17,22H,6-7,11-12,14-16H2,1-2H3
InChIKeyUTZFZTSKCUZCEB-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.52
Rot. Bonds5

About 5-(2-methoxyphenyl)-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine

5-(2-methoxyphenyl)-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 154176171) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID154176171
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name5-(2-methoxyphenyl)-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine
SMILESCOc1ccccc1C1c2cccnc2CCN1CCC1CCCN1C
InChIInChI=1S/C22H29N3O/c1-24-14-6-7-17(24)11-15-25-16-12-20-18(9-5-13-23-20)22(25)19-8-3-4-10-21(19)26-2/h3-5,8-10,13,17,22H,6-7,11-12,14-16H2,1-2H3
InChIKeyUTZFZTSKCUZCEB-UHFFFAOYSA-N
XLogP3.52
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 5-(2-methoxyphenyl)-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine (CID 154176171) is 5-(2-methoxyphenyl)-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 5-(2-methoxyphenyl)-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 5-(2-methoxyphenyl)-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine is COc1ccccc1C1c2cccnc2CCN1CCC1CCCN1C.
What is the InChIKey of 5-(2-methoxyphenyl)-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is UTZFZTSKCUZCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-24-14-6-7-17(24)11-15-25-16-12-20-18(9-5-13-23-20)22(25)19-8-3-4-10-21(19)26-2/h3-5,8-10,13,17,22H,6-7,11-12,14-16H2,1-2H3.
What are the key properties of 5-(2-methoxyphenyl)-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine?
5-(2-methoxyphenyl)-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 351.49 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 154176171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).