7-[(7S)-7-fluoro-8-methoxy-5-methyloctyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

C18H29FN2O — CID 174205088

IUPAC7-[(7S)-7-fluoro-8-methoxy-5-methyloctyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCOC[C@@H](F)CC(C)CCCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C18H29FN2O/c1-14(12-16(19)13-22-2)6-3-4-8-17-10-9-15-7-5-11-20-18(15)21-17/h9-10,14,16H,3-8,11-13H2,1-2H3,(H,20,21)/t14?,16-/m0/s1
InChIKeyZXWAGUCNCQIVTO-WMCAAGNKSA-N
MW308.44 g/mol
LogP4.16
Rot. Bonds9

About 7-[(7S)-7-fluoro-8-methoxy-5-methyloctyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

7-[(7S)-7-fluoro-8-methoxy-5-methyloctyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 174205088) has the molecular formula C18H29FN2O and a molecular weight of 308.44 g/mol. Its IUPAC name is 7-[(7S)-7-fluoro-8-methoxy-5-methyloctyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name7-[(7S)-7-fluoro-8-methoxy-5-methyloctyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID174205088
Molecular FormulaC18H29FN2O
Molecular Weight308.44 g/mol
Exact Mass308.23
IUPAC Name7-[(7S)-7-fluoro-8-methoxy-5-methyloctyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCOC[C@@H](F)CC(C)CCCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C18H29FN2O/c1-14(12-16(19)13-22-2)6-3-4-8-17-10-9-15-7-5-11-20-18(15)21-17/h9-10,14,16H,3-8,11-13H2,1-2H3,(H,20,21)/t14?,16-/m0/s1
InChIKeyZXWAGUCNCQIVTO-WMCAAGNKSA-N
XLogP4.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(7S)-7-fluoro-8-methoxy-5-methyloctyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 7-[(7S)-7-fluoro-8-methoxy-5-methyloctyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 174205088) is 7-[(7S)-7-fluoro-8-methoxy-5-methyloctyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 7-[(7S)-7-fluoro-8-methoxy-5-methyloctyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 7-[(7S)-7-fluoro-8-methoxy-5-methyloctyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is COC[C@@H](F)CC(C)CCCCc1ccc2c(n1)NCCC2.
What is the InChIKey of 7-[(7S)-7-fluoro-8-methoxy-5-methyloctyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is ZXWAGUCNCQIVTO-WMCAAGNKSA-N. The full InChI is InChI=1S/C18H29FN2O/c1-14(12-16(19)13-22-2)6-3-4-8-17-10-9-15-7-5-11-20-18(15)21-17/h9-10,14,16H,3-8,11-13H2,1-2H3,(H,20,21)/t14?,16-/m0/s1.
What are the key properties of 7-[(7S)-7-fluoro-8-methoxy-5-methyloctyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
7-[(7S)-7-fluoro-8-methoxy-5-methyloctyl]-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 308.44 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(7S)-7-fluoro-8-methoxy-5-methyloctyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 174205088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).