benzo[h]quinoline;naphthalene

C23H17N — CID 175017782

IUPACbenzo[h]quinoline;naphthalene
SMILESc1ccc2c(c1)ccc1cccnc12.c1ccc2ccccc2c1
InChIInChI=1S/C13H9N.C10H8/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-2-6-10-8-4-3-7-9(10)5-1/h1-9H;1-8H
InChIKeyQPDZFSALTYOJIA-UHFFFAOYSA-N
MW307.40 g/mol
LogP6.23
Rot. Bonds

About benzo[h]quinoline;naphthalene

benzo[h]quinoline;naphthalene (PubChem CID 175017782) has the molecular formula C23H17N and a molecular weight of 307.40 g/mol. Its IUPAC name is benzo[h]quinoline;naphthalene.

Molecular Properties

Compound Namebenzo[h]quinoline;naphthalene
PubChem CID175017782
Molecular FormulaC23H17N
Molecular Weight307.40 g/mol
Exact Mass307.14
IUPAC Namebenzo[h]quinoline;naphthalene
SMILESc1ccc2c(c1)ccc1cccnc12.c1ccc2ccccc2c1
InChIInChI=1S/C13H9N.C10H8/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-2-6-10-8-4-3-7-9(10)5-1/h1-9H;1-8H
InChIKeyQPDZFSALTYOJIA-UHFFFAOYSA-N
XLogP6.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.40
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

CID 87856781
CID 87856781
beryllium;benzo[h]quinoline;hydride;quinoline
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1,7-phenanthroline;vanadium
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CID 175702049
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
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CID 15001085
methanol;1,7-phenanthroline
CID 174496893

Frequently Asked Questions

What is the IUPAC name of benzo[h]quinoline;naphthalene?
The IUPAC name of benzo[h]quinoline;naphthalene (CID 175017782) is benzo[h]quinoline;naphthalene.
What is the SMILES notation for benzo[h]quinoline;naphthalene?
The canonical SMILES for benzo[h]quinoline;naphthalene is c1ccc2c(c1)ccc1cccnc12.c1ccc2ccccc2c1.
What is the InChIKey of benzo[h]quinoline;naphthalene?
The InChIKey is QPDZFSALTYOJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N.C10H8/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-2-6-10-8-4-3-7-9(10)5-1/h1-9H;1-8H.
What are the key properties of benzo[h]quinoline;naphthalene?
benzo[h]quinoline;naphthalene has a molecular weight of 307.40 g/mol, XLogP of 6.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[h]quinoline;naphthalene is sourced from PubChem (CID 175017782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).