1,7-naphthyridine;1,2,11,12-tetrahydrochrysene;dihydrochloride

C26H24Cl2N2 — CID 174697585

IUPAC1,7-naphthyridine;1,2,11,12-tetrahydrochrysene;dihydrochloride
SMILESC1=CC2=C(CC1)CCc1c2ccc2ccccc12.Cl.Cl.c1cnc2cnccc2c1
InChIInChI=1S/C18H16.C8H6N2.2ClH/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-7-3-5-9-6-8(7)10-4-1;;/h1,3-5,7-9,11H,2,6,10,12H2;1-6H;2*1H
InChIKeyQRZPKZDRLIPJLS-UHFFFAOYSA-N
MW435.40 g/mol
LogP7.36
Rot. Bonds

About 1,7-naphthyridine;1,2,11,12-tetrahydrochrysene;dihydrochloride

1,7-naphthyridine;1,2,11,12-tetrahydrochrysene;dihydrochloride (PubChem CID 174697585) has the molecular formula C26H24Cl2N2 and a molecular weight of 435.40 g/mol. Its IUPAC name is 1,7-naphthyridine;1,2,11,12-tetrahydrochrysene;dihydrochloride.

Molecular Properties

Compound Name1,7-naphthyridine;1,2,11,12-tetrahydrochrysene;dihydrochloride
PubChem CID174697585
Molecular FormulaC26H24Cl2N2
Molecular Weight435.40 g/mol
Exact Mass434.13
IUPAC Name1,7-naphthyridine;1,2,11,12-tetrahydrochrysene;dihydrochloride
SMILESC1=CC2=C(CC1)CCc1c2ccc2ccccc12.Cl.Cl.c1cnc2cnccc2c1
InChIInChI=1S/C18H16.C8H6N2.2ClH/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-7-3-5-9-6-8(7)10-4-1;;/h1,3-5,7-9,11H,2,6,10,12H2;1-6H;2*1H
InChIKeyQRZPKZDRLIPJLS-UHFFFAOYSA-N
XLogP7.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.40
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,7-naphthyridine;1,2,11,12-tetrahydrochrysene;hydrochloride
CID 174712080
1,6-naphthyridine;1,2,11,12-tetrahydrochrysene;hydrochloride
CID 174712744
cinnoline;1,2,11,12-tetrahydrochrysene
CID 174316438
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
CID 175242041
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
8-methyl-1,2,11,12-tetrahydrochrysene;pyrido[4,3-d]pyrimidine;hydrochloride
CID 174340727
8-methyl-10-phenyl-1,2,11,12-tetrahydrochrysene;quinoline
CID 174694275
2-bromo-3-(5,6,7,8-tetrahydrochrysen-4-ylmethyl)pyridine;2H-phthalazin-1-one
CID 174699692

Frequently Asked Questions

What is the IUPAC name of 1,7-naphthyridine;1,2,11,12-tetrahydrochrysene;dihydrochloride?
The IUPAC name of 1,7-naphthyridine;1,2,11,12-tetrahydrochrysene;dihydrochloride (CID 174697585) is 1,7-naphthyridine;1,2,11,12-tetrahydrochrysene;dihydrochloride.
What is the SMILES notation for 1,7-naphthyridine;1,2,11,12-tetrahydrochrysene;dihydrochloride?
The canonical SMILES for 1,7-naphthyridine;1,2,11,12-tetrahydrochrysene;dihydrochloride is C1=CC2=C(CC1)CCc1c2ccc2ccccc12.Cl.Cl.c1cnc2cnccc2c1.
What is the InChIKey of 1,7-naphthyridine;1,2,11,12-tetrahydrochrysene;dihydrochloride?
The InChIKey is QRZPKZDRLIPJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16.C8H6N2.2ClH/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-7-3-5-9-6-8(7)10-4-1;;/h1,3-5,7-9,11H,2,6,10,12H2;1-6H;2*1H.
What are the key properties of 1,7-naphthyridine;1,2,11,12-tetrahydrochrysene;dihydrochloride?
1,7-naphthyridine;1,2,11,12-tetrahydrochrysene;dihydrochloride has a molecular weight of 435.40 g/mol, XLogP of 7.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-naphthyridine;1,2,11,12-tetrahydrochrysene;dihydrochloride is sourced from PubChem (CID 174697585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).