1,6-naphthyridine;1,2,11,12-tetrahydrochrysene;hydrochloride

C26H23ClN2 — CID 174712744

IUPAC1,6-naphthyridine;1,2,11,12-tetrahydrochrysene;hydrochloride
SMILESC1=CC2=C(CC1)CCc1c2ccc2ccccc12.Cl.c1cnc2ccncc2c1
InChIInChI=1S/C18H16.C8H6N2.ClH/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-7-6-9-5-3-8(7)10-4-1;/h1,3-5,7-9,11H,2,6,10,12H2;1-6H;1H
InChIKeyVESCAANSDNJVCY-UHFFFAOYSA-N
MW398.94 g/mol
LogP6.94
Rot. Bonds

About 1,6-naphthyridine;1,2,11,12-tetrahydrochrysene;hydrochloride

1,6-naphthyridine;1,2,11,12-tetrahydrochrysene;hydrochloride (PubChem CID 174712744) has the molecular formula C26H23ClN2 and a molecular weight of 398.94 g/mol. Its IUPAC name is 1,6-naphthyridine;1,2,11,12-tetrahydrochrysene;hydrochloride.

Molecular Properties

Compound Name1,6-naphthyridine;1,2,11,12-tetrahydrochrysene;hydrochloride
PubChem CID174712744
Molecular FormulaC26H23ClN2
Molecular Weight398.94 g/mol
Exact Mass398.15
IUPAC Name1,6-naphthyridine;1,2,11,12-tetrahydrochrysene;hydrochloride
SMILESC1=CC2=C(CC1)CCc1c2ccc2ccccc12.Cl.c1cnc2ccncc2c1
InChIInChI=1S/C18H16.C8H6N2.ClH/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-7-6-9-5-3-8(7)10-4-1;/h1,3-5,7-9,11H,2,6,10,12H2;1-6H;1H
InChIKeyVESCAANSDNJVCY-UHFFFAOYSA-N
XLogP6.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.94
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 174697585
1,7-naphthyridine;1,2,11,12-tetrahydrochrysene;hydrochloride
CID 174712080
1,6-naphthyridine;8-(4-phenylmethoxyphenyl)-1,2,11,12-tetrahydrochrysene
CID 174912201
1,6-naphthyridine;4-(5,6,7,8-tetrahydrochrysen-2-ylmethyl)morpholine
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cinnoline;1,2,11,12-tetrahydrochrysene
CID 174316438
8-methyl-1,2,11,12-tetrahydrochrysene;pyrido[4,3-d]pyrimidine;hydrochloride
CID 174340727
benzo[e]benzimidazol-2-one;1,2,11,12-tetrahydrochrysene
CID 174378285
4,5-dihydro-1,3-oxazole;1,2,11,12-tetrahydrochrysene
CID 174610668
2-(5,6,7,8-tetrahydrochrysen-1-yl)naphthalen-1-ol
CID 175438347
1-hydroxynaphthalene-2-carboxylic acid;1,2,11,12-tetrahydrochrysene
CID 174408261
12-benzyl-8-cyclopropyl-1,2,11,12-tetrahydrochrysene;1,6-naphthyridine
CID 174859774
8-methyl-10-phenyl-1,2,11,12-tetrahydrochrysene;quinoline
CID 174694275

Frequently Asked Questions

What is the IUPAC name of 1,6-naphthyridine;1,2,11,12-tetrahydrochrysene;hydrochloride?
The IUPAC name of 1,6-naphthyridine;1,2,11,12-tetrahydrochrysene;hydrochloride (CID 174712744) is 1,6-naphthyridine;1,2,11,12-tetrahydrochrysene;hydrochloride.
What is the SMILES notation for 1,6-naphthyridine;1,2,11,12-tetrahydrochrysene;hydrochloride?
The canonical SMILES for 1,6-naphthyridine;1,2,11,12-tetrahydrochrysene;hydrochloride is C1=CC2=C(CC1)CCc1c2ccc2ccccc12.Cl.c1cnc2ccncc2c1.
What is the InChIKey of 1,6-naphthyridine;1,2,11,12-tetrahydrochrysene;hydrochloride?
The InChIKey is VESCAANSDNJVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16.C8H6N2.ClH/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-7-6-9-5-3-8(7)10-4-1;/h1,3-5,7-9,11H,2,6,10,12H2;1-6H;1H.
What are the key properties of 1,6-naphthyridine;1,2,11,12-tetrahydrochrysene;hydrochloride?
1,6-naphthyridine;1,2,11,12-tetrahydrochrysene;hydrochloride has a molecular weight of 398.94 g/mol, XLogP of 6.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-naphthyridine;1,2,11,12-tetrahydrochrysene;hydrochloride is sourced from PubChem (CID 174712744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).