7-[(E)-3-(3-fluoropyrrolidin-3-yl)prop-1-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

C15H20FN3 — CID 163804257

IUPAC7-[(E)-3-(3-fluoropyrrolidin-3-yl)prop-1-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESFC1(C/C=C/c2ccc3c(n2)NCCC3)CCNC1
InChIInChI=1S/C15H20FN3/c16-15(8-10-17-11-15)7-1-4-13-6-5-12-3-2-9-18-14(12)19-13/h1,4-6,17H,2-3,7-11H2,(H,18,19)/b4-1+
InChIKeyNHQCSDIPIFCKLW-DAFODLJHSA-N
MW261.34 g/mol
LogP2.54
Rot. Bonds3

About 7-[(E)-3-(3-fluoropyrrolidin-3-yl)prop-1-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

7-[(E)-3-(3-fluoropyrrolidin-3-yl)prop-1-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 163804257) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 7-[(E)-3-(3-fluoropyrrolidin-3-yl)prop-1-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name7-[(E)-3-(3-fluoropyrrolidin-3-yl)prop-1-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID163804257
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name7-[(E)-3-(3-fluoropyrrolidin-3-yl)prop-1-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESFC1(C/C=C/c2ccc3c(n2)NCCC3)CCNC1
InChIInChI=1S/C15H20FN3/c16-15(8-10-17-11-15)7-1-4-13-6-5-12-3-2-9-18-14(12)19-13/h1,4-6,17H,2-3,7-11H2,(H,18,19)/b4-1+
InChIKeyNHQCSDIPIFCKLW-DAFODLJHSA-N
XLogP2.54
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(5-chloropent-1-enyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 141108587
5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-2-enenitrile
CID 159949050
benzyl (3S)-3-fluoro-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethenyl]pyrrolidine-1-carboxylate
CID 140866582
7-[2-[(3S)-3-fluoro-1-hydroxypyrrolidin-3-yl]ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 130433330
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine;dihydrochloride
CID 22678213
methyl (E)-4-[3-fluoro-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]but-3-enoate
CID 118981808
benzyl (3R)-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate;benzyl (3S)-3-fluoro-3-[(E)-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethenyl]pyrrolidine-1-carboxylate;bromo-triphenyl-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)-λ5-phosphane
CID 161181725
tert-butyl 4-[3-fluoro-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]but-2-enoate
CID 142748776
tert-butyl (E)-4-[3-fluoro-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]but-2-enoate
CID 130453719
N-methyl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine
CID 68525783
7-ethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;molecular hydrogen
CID 176962671
2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)ethanol
CID 21054357

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-3-(3-fluoropyrrolidin-3-yl)prop-1-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 7-[(E)-3-(3-fluoropyrrolidin-3-yl)prop-1-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 163804257) is 7-[(E)-3-(3-fluoropyrrolidin-3-yl)prop-1-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 7-[(E)-3-(3-fluoropyrrolidin-3-yl)prop-1-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 7-[(E)-3-(3-fluoropyrrolidin-3-yl)prop-1-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is FC1(C/C=C/c2ccc3c(n2)NCCC3)CCNC1.
What is the InChIKey of 7-[(E)-3-(3-fluoropyrrolidin-3-yl)prop-1-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is NHQCSDIPIFCKLW-DAFODLJHSA-N. The full InChI is InChI=1S/C15H20FN3/c16-15(8-10-17-11-15)7-1-4-13-6-5-12-3-2-9-18-14(12)19-13/h1,4-6,17H,2-3,7-11H2,(H,18,19)/b4-1+.
What are the key properties of 7-[(E)-3-(3-fluoropyrrolidin-3-yl)prop-1-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
7-[(E)-3-(3-fluoropyrrolidin-3-yl)prop-1-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 261.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-3-(3-fluoropyrrolidin-3-yl)prop-1-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 163804257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).