7-[(8S)-8-fluoro-9-methoxy-5-methylidenenonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

C19H29FN2O — CID 139473979

IUPAC7-[(8S)-8-fluoro-9-methoxy-5-methylidenenonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESC=C(CCCCc1ccc2c(n1)NCCC2)CC[C@H](F)COC
InChIInChI=1S/C19H29FN2O/c1-15(9-11-17(20)14-23-2)6-3-4-8-18-12-10-16-7-5-13-21-19(16)22-18/h10,12,17H,1,3-9,11,13-14H2,2H3,(H,21,22)/t17-/m0/s1
InChIKeyURPBGIVMIFIAIL-KRWDZBQOSA-N
MW320.45 g/mol
LogP4.47
Rot. Bonds10

About 7-[(8S)-8-fluoro-9-methoxy-5-methylidenenonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

7-[(8S)-8-fluoro-9-methoxy-5-methylidenenonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 139473979) has the molecular formula C19H29FN2O and a molecular weight of 320.45 g/mol. Its IUPAC name is 7-[(8S)-8-fluoro-9-methoxy-5-methylidenenonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name7-[(8S)-8-fluoro-9-methoxy-5-methylidenenonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID139473979
Molecular FormulaC19H29FN2O
Molecular Weight320.45 g/mol
Exact Mass320.23
IUPAC Name7-[(8S)-8-fluoro-9-methoxy-5-methylidenenonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESC=C(CCCCc1ccc2c(n1)NCCC2)CC[C@H](F)COC
InChIInChI=1S/C19H29FN2O/c1-15(9-11-17(20)14-23-2)6-3-4-8-18-12-10-16-7-5-13-21-19(16)22-18/h10,12,17H,1,3-9,11,13-14H2,2H3,(H,21,22)/t17-/m0/s1
InChIKeyURPBGIVMIFIAIL-KRWDZBQOSA-N
XLogP4.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(8S)-8-fluoro-9-methoxy-5-methylidenenonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 7-[(8S)-8-fluoro-9-methoxy-5-methylidenenonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 139473979) is 7-[(8S)-8-fluoro-9-methoxy-5-methylidenenonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 7-[(8S)-8-fluoro-9-methoxy-5-methylidenenonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 7-[(8S)-8-fluoro-9-methoxy-5-methylidenenonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is C=C(CCCCc1ccc2c(n1)NCCC2)CC[C@H](F)COC.
What is the InChIKey of 7-[(8S)-8-fluoro-9-methoxy-5-methylidenenonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is URPBGIVMIFIAIL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29FN2O/c1-15(9-11-17(20)14-23-2)6-3-4-8-18-12-10-16-7-5-13-21-19(16)22-18/h10,12,17H,1,3-9,11,13-14H2,2H3,(H,21,22)/t17-/m0/s1.
What are the key properties of 7-[(8S)-8-fluoro-9-methoxy-5-methylidenenonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
7-[(8S)-8-fluoro-9-methoxy-5-methylidenenonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 320.45 g/mol, XLogP of 4.47, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(8S)-8-fluoro-9-methoxy-5-methylidenenonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 139473979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).