7-(5-chloropent-1-enyl)-1,2,3,4-tetrahydro-1,8-naphthyridine

C13H17ClN2 — CID 141108587

IUPAC7-(5-chloropent-1-enyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESClCCCC=Cc1ccc2c(n1)NCCC2
InChIInChI=1S/C13H17ClN2/c14-9-3-1-2-6-12-8-7-11-5-4-10-15-13(11)16-12/h2,6-8H,1,3-5,9-10H2,(H,15,16)
InChIKeyCUFXLIQYGZDTSI-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.47
Rot. Bonds4

About 7-(5-chloropent-1-enyl)-1,2,3,4-tetrahydro-1,8-naphthyridine

7-(5-chloropent-1-enyl)-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 141108587) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 7-(5-chloropent-1-enyl)-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name7-(5-chloropent-1-enyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID141108587
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name7-(5-chloropent-1-enyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESClCCCC=Cc1ccc2c(n1)NCCC2
InChIInChI=1S/C13H17ClN2/c14-9-3-1-2-6-12-8-7-11-5-4-10-15-13(11)16-12/h2,6-8H,1,3-5,9-10H2,(H,15,16)
InChIKeyCUFXLIQYGZDTSI-UHFFFAOYSA-N
XLogP3.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-[(E)-3-(3-fluoropyrrolidin-3-yl)prop-1-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 163804257
7-[(E)-7-pyrimidin-5-ylhept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 142134028
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
7-ethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;molecular hydrogen
CID 176962671
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine;dihydrochloride
CID 22678213
N-methyl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine
CID 68525783
2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)ethanol
CID 21054357
4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;trihydrochloride
CID 169448886
(Z)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-2-en-4-imine
CID 142348115
methyl (E)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate;pyrimidine
CID 142277672
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanesulfonamide
CID 69025708
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid
CID 22570252

Frequently Asked Questions

What is the IUPAC name of 7-(5-chloropent-1-enyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 7-(5-chloropent-1-enyl)-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 141108587) is 7-(5-chloropent-1-enyl)-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 7-(5-chloropent-1-enyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 7-(5-chloropent-1-enyl)-1,2,3,4-tetrahydro-1,8-naphthyridine is ClCCCC=Cc1ccc2c(n1)NCCC2.
What is the InChIKey of 7-(5-chloropent-1-enyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is CUFXLIQYGZDTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c14-9-3-1-2-6-12-8-7-11-5-4-10-15-13(11)16-12/h2,6-8H,1,3-5,9-10H2,(H,15,16).
What are the key properties of 7-(5-chloropent-1-enyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
7-(5-chloropent-1-enyl)-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 236.75 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chloropent-1-enyl)-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 141108587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).