2-cycloheptyl-6-(cyclooctatetraenyl)-1,8-naphthyridine

C23H24N2 — CID 168977250

IUPAC2-cycloheptyl-6-(cyclooctatetraenyl)-1,8-naphthyridine
SMILESC1=C\C=C/C(c2cnc3nc(C4CCCCCC4)ccc3c2)=C\C=C/1
InChIInChI=1S/C23H24N2/c1-2-6-10-18(11-7-3-1)21-16-20-14-15-22(25-23(20)24-17-21)19-12-8-4-5-9-13-19/h1-3,6-7,10-11,14-17,19H,4-5,8-9,12-13H2/b2-1-,3-1-,6-2-,7-3-,10-6-,11-7-,18-10+,18-11+
InChIKeyXRUQVLQGJBDDCE-LAIAEXMQSA-N
MW328.46 g/mol
LogP6.13
Rot. Bonds2

About 2-cycloheptyl-6-(cyclooctatetraenyl)-1,8-naphthyridine

2-cycloheptyl-6-(cyclooctatetraenyl)-1,8-naphthyridine (PubChem CID 168977250) has the molecular formula C23H24N2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-cycloheptyl-6-(cyclooctatetraenyl)-1,8-naphthyridine.

Molecular Properties

Compound Name2-cycloheptyl-6-(cyclooctatetraenyl)-1,8-naphthyridine
PubChem CID168977250
Molecular FormulaC23H24N2
Molecular Weight328.46 g/mol
Exact Mass328.19
IUPAC Name2-cycloheptyl-6-(cyclooctatetraenyl)-1,8-naphthyridine
SMILESC1=C\C=C/C(c2cnc3nc(C4CCCCCC4)ccc3c2)=C\C=C/1
InChIInChI=1S/C23H24N2/c1-2-6-10-18(11-7-3-1)21-16-20-14-15-22(25-23(20)24-17-21)19-12-8-4-5-9-13-19/h1-3,6-7,10-11,14-17,19H,4-5,8-9,12-13H2/b2-1-,3-1-,6-2-,7-3-,10-6-,11-7-,18-10+,18-11+
InChIKeyXRUQVLQGJBDDCE-LAIAEXMQSA-N
XLogP6.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cycloheptyl-6-cyclooctyl-1,8-naphthyridine
CID 170013133
2-cyclopropyl-6-methyl-1,8-naphthyridine
CID 56626435
4-cyclopentyl-2-methylsulfanylpyrimidine
CID 70073291
3-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 155977261
(2-methylpyrazol-3-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155975284
(3-fluoro-4-pyridinyl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 163345283
(3-methylimidazol-4-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155975312
3-methyl-5-[[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 163347006
1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone
CID 163346995
(5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrimidin-5-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155980899
(1-methyltriazol-4-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155975295
2,6-di(cyclooctyl)pyrido[3,2-d]pyrimidine
CID 170009095

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-6-(cyclooctatetraenyl)-1,8-naphthyridine?
The IUPAC name of 2-cycloheptyl-6-(cyclooctatetraenyl)-1,8-naphthyridine (CID 168977250) is 2-cycloheptyl-6-(cyclooctatetraenyl)-1,8-naphthyridine.
What is the SMILES notation for 2-cycloheptyl-6-(cyclooctatetraenyl)-1,8-naphthyridine?
The canonical SMILES for 2-cycloheptyl-6-(cyclooctatetraenyl)-1,8-naphthyridine is C1=C\C=C/C(c2cnc3nc(C4CCCCCC4)ccc3c2)=C\C=C/1.
What is the InChIKey of 2-cycloheptyl-6-(cyclooctatetraenyl)-1,8-naphthyridine?
The InChIKey is XRUQVLQGJBDDCE-LAIAEXMQSA-N. The full InChI is InChI=1S/C23H24N2/c1-2-6-10-18(11-7-3-1)21-16-20-14-15-22(25-23(20)24-17-21)19-12-8-4-5-9-13-19/h1-3,6-7,10-11,14-17,19H,4-5,8-9,12-13H2/b2-1-,3-1-,6-2-,7-3-,10-6-,11-7-,18-10+,18-11+.
What are the key properties of 2-cycloheptyl-6-(cyclooctatetraenyl)-1,8-naphthyridine?
2-cycloheptyl-6-(cyclooctatetraenyl)-1,8-naphthyridine has a molecular weight of 328.46 g/mol, XLogP of 6.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-6-(cyclooctatetraenyl)-1,8-naphthyridine is sourced from PubChem (CID 168977250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).