7-[(8S)-8-fluoro-9-methoxy-6-methylidenenonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

C19H29FN2O — CID 139473701

IUPAC7-[(8S)-8-fluoro-9-methoxy-6-methylidenenonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESC=C(CCCCCc1ccc2c(n1)NCCC2)C[C@H](F)COC
InChIInChI=1S/C19H29FN2O/c1-15(13-17(20)14-23-2)7-4-3-5-9-18-11-10-16-8-6-12-21-19(16)22-18/h10-11,17H,1,3-9,12-14H2,2H3,(H,21,22)/t17-/m0/s1
InChIKeyGRHHJIKOXVKTFB-KRWDZBQOSA-N
MW320.45 g/mol
LogP4.47
Rot. Bonds10

About 7-[(8S)-8-fluoro-9-methoxy-6-methylidenenonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

7-[(8S)-8-fluoro-9-methoxy-6-methylidenenonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 139473701) has the molecular formula C19H29FN2O and a molecular weight of 320.45 g/mol. Its IUPAC name is 7-[(8S)-8-fluoro-9-methoxy-6-methylidenenonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name7-[(8S)-8-fluoro-9-methoxy-6-methylidenenonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID139473701
Molecular FormulaC19H29FN2O
Molecular Weight320.45 g/mol
Exact Mass320.23
IUPAC Name7-[(8S)-8-fluoro-9-methoxy-6-methylidenenonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESC=C(CCCCCc1ccc2c(n1)NCCC2)C[C@H](F)COC
InChIInChI=1S/C19H29FN2O/c1-15(13-17(20)14-23-2)7-4-3-5-9-18-11-10-16-8-6-12-21-19(16)22-18/h10-11,17H,1,3-9,12-14H2,2H3,(H,21,22)/t17-/m0/s1
InChIKeyGRHHJIKOXVKTFB-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'}

Analyze 7-[(8S)-8-fluoro-9-methoxy-6-methylidenenonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine with MolForge

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Related Compounds

2-(Piperazin-1-yl)-5,6,7,8-tetrahydroquinoline
CID 46228433
N'-[6-[2-(6-Azanyl-4-Methyl-Pyridin-2-Yl)ethyl]pyridin-2-Yl]-N,N'-Dimethyl-Ethane-1,2-Diamine
CID 91808025
3-(3-Fluoro-phenyl)-9-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-nonanoic acid
CID 10200045
1-[2-(5,6,7,8-Tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 70887095
(4S)-4-[2-[4-[(6-methyl-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 56967654
5,7-Dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 12378181
(E)-3-(3-Fluoro-phenyl)-9-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-non-4-enoic acid
CID 44396497
(2R)-2-[[3-fluoro-6-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312350
(2R)-2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluoro-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312624
(2R)-2-[[3-fluoro-6-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312652
(2R)-2-[[3-fluoro-6-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312890
3-(5,6,7,8-Tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine
CID 9877599

Frequently Asked Questions

What is the IUPAC name of 7-[(8S)-8-fluoro-9-methoxy-6-methylidenenonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 7-[(8S)-8-fluoro-9-methoxy-6-methylidenenonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 139473701) is 7-[(8S)-8-fluoro-9-methoxy-6-methylidenenonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 7-[(8S)-8-fluoro-9-methoxy-6-methylidenenonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 7-[(8S)-8-fluoro-9-methoxy-6-methylidenenonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is C=C(CCCCCc1ccc2c(n1)NCCC2)C[C@H](F)COC.
What is the InChIKey of 7-[(8S)-8-fluoro-9-methoxy-6-methylidenenonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is GRHHJIKOXVKTFB-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29FN2O/c1-15(13-17(20)14-23-2)7-4-3-5-9-18-11-10-16-8-6-12-21-19(16)22-18/h10-11,17H,1,3-9,12-14H2,2H3,(H,21,22)/t17-/m0/s1.
What are the key properties of 7-[(8S)-8-fluoro-9-methoxy-6-methylidenenonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
7-[(8S)-8-fluoro-9-methoxy-6-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-6-methylidenenonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 139473701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).