4-methyl-7-pentyl-1,2,3,4-tetrahydro-1,8-naphthyridine

C14H22N2 — CID 176962480

IUPAC4-methyl-7-pentyl-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCCCCCc1ccc2c(n1)NCCC2C
InChIInChI=1S/C14H22N2/c1-3-4-5-6-12-7-8-13-11(2)9-10-15-14(13)16-12/h7-8,11H,3-6,9-10H2,1-2H3,(H,15,16)
InChIKeyCRQKQRHRYJPTAB-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.73
Rot. Bonds4

About 4-methyl-7-pentyl-1,2,3,4-tetrahydro-1,8-naphthyridine

4-methyl-7-pentyl-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 176962480) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-methyl-7-pentyl-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name4-methyl-7-pentyl-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID176962480
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-methyl-7-pentyl-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCCCCCc1ccc2c(n1)NCCC2C
InChIInChI=1S/C14H22N2/c1-3-4-5-6-12-7-8-13-11(2)9-10-15-14(13)16-12/h7-8,11H,3-6,9-10H2,1-2H3,(H,15,16)
InChIKeyCRQKQRHRYJPTAB-UHFFFAOYSA-N
XLogP3.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoro-2-methoxypropyl)-4-(5-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine
CID 176962220
4-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 55288006
2,6-dipentylpyridine
CID 58097448
2,6-didodecylpyridine
CID 90943274
2-pentyl-1,8-naphthyridine
CID 11481079
2-(2-cyclopropyl-3-methoxyphenyl)-2-(3-methylazetidin-1-yl)acetic acid;7-hexyl-4,4-dimethyl-2,3-dihydro-1H-1,8-naphthyridine
CID 177029171
2-methyl-6-nonylpyridine
CID 165359246
2-methyl-6-tridecylpyridine
CID 572285
2-chloro-6-pentylpyridine
CID 14570984
N-ethyl-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-amine
CID 154031401
3-pentylpyridazine;piperazine
CID 69210510
2,3-diethyl-6-pentylpyridine
CID 175318170

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-pentyl-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 4-methyl-7-pentyl-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 176962480) is 4-methyl-7-pentyl-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 4-methyl-7-pentyl-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 4-methyl-7-pentyl-1,2,3,4-tetrahydro-1,8-naphthyridine is CCCCCc1ccc2c(n1)NCCC2C.
What is the InChIKey of 4-methyl-7-pentyl-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is CRQKQRHRYJPTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-4-5-6-12-7-8-13-11(2)9-10-15-14(13)16-12/h7-8,11H,3-6,9-10H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-7-pentyl-1,2,3,4-tetrahydro-1,8-naphthyridine?
4-methyl-7-pentyl-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 218.34 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-pentyl-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 176962480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).