6-[(4-methoxy-3-propoxyphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine

C19H24N2O2 — CID 3058710

IUPAC6-[(4-methoxy-3-propoxyphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine
SMILESCCCOc1cc(CN2CCc3ncccc3C2)ccc1OC
InChIInChI=1S/C19H24N2O2/c1-3-11-23-19-12-15(6-7-18(19)22-2)13-21-10-8-17-16(14-21)5-4-9-20-17/h4-7,9,12H,3,8,10-11,13-14H2,1-2H3
InChIKeyFGBRPGMHMAESHM-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.44
Rot. Bonds6

About 6-[(4-methoxy-3-propoxyphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine

6-[(4-methoxy-3-propoxyphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 3058710) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 6-[(4-methoxy-3-propoxyphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name6-[(4-methoxy-3-propoxyphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID3058710
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name6-[(4-methoxy-3-propoxyphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine
SMILESCCCOc1cc(CN2CCc3ncccc3C2)ccc1OC
InChIInChI=1S/C19H24N2O2/c1-3-11-23-19-12-15(6-7-18(19)22-2)13-21-10-8-17-16(14-21)5-4-9-20-17/h4-7,9,12H,3,8,10-11,13-14H2,1-2H3
InChIKeyFGBRPGMHMAESHM-UHFFFAOYSA-N
XLogP3.44
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxy-3-propoxyphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 6-[(4-methoxy-3-propoxyphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine (CID 3058710) is 6-[(4-methoxy-3-propoxyphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 6-[(4-methoxy-3-propoxyphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 6-[(4-methoxy-3-propoxyphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine is CCCOc1cc(CN2CCc3ncccc3C2)ccc1OC.
What is the InChIKey of 6-[(4-methoxy-3-propoxyphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is FGBRPGMHMAESHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-11-23-19-12-15(6-7-18(19)22-2)13-21-10-8-17-16(14-21)5-4-9-20-17/h4-7,9,12H,3,8,10-11,13-14H2,1-2H3.
What are the key properties of 6-[(4-methoxy-3-propoxyphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine?
6-[(4-methoxy-3-propoxyphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 312.41 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxy-3-propoxyphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 3058710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).