2-[(E)-2-(1-chloronaphthalen-2-yl)ethenyl]benzo[h]quinoline

C25H16ClN — CID 11726379

IUPAC2-[(E)-2-(1-chloronaphthalen-2-yl)ethenyl]benzo[h]quinoline
SMILESClc1c(/C=C/c2ccc3ccc4ccccc4c3n2)ccc2ccccc12
InChIInChI=1S/C25H16ClN/c26-24-19(11-9-17-5-1-3-7-22(17)24)13-15-21-16-14-20-12-10-18-6-2-4-8-23(18)25(20)27-21/h1-16H/b15-13+
InChIKeyMECKTPSNGFUACM-FYWRMAATSA-N
MW365.86 g/mol
LogP7.36
Rot. Bonds2

About 2-[(E)-2-(1-chloronaphthalen-2-yl)ethenyl]benzo[h]quinoline

2-[(E)-2-(1-chloronaphthalen-2-yl)ethenyl]benzo[h]quinoline (PubChem CID 11726379) has the molecular formula C25H16ClN and a molecular weight of 365.86 g/mol. Its IUPAC name is 2-[(E)-2-(1-chloronaphthalen-2-yl)ethenyl]benzo[h]quinoline.

Molecular Properties

Compound Name2-[(E)-2-(1-chloronaphthalen-2-yl)ethenyl]benzo[h]quinoline
PubChem CID11726379
Molecular FormulaC25H16ClN
Molecular Weight365.86 g/mol
Exact Mass365.10
IUPAC Name2-[(E)-2-(1-chloronaphthalen-2-yl)ethenyl]benzo[h]quinoline
SMILESClc1c(/C=C/c2ccc3ccc4ccccc4c3n2)ccc2ccccc12
InChIInChI=1S/C25H16ClN/c26-24-19(11-9-17-5-1-3-7-22(17)24)13-15-21-16-14-20-12-10-18-6-2-4-8-23(18)25(20)27-21/h1-16H/b15-13+
InChIKeyMECKTPSNGFUACM-FYWRMAATSA-N
XLogP7.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.86
LogP ≤ 57.36
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

2-[(E)-2-(1-chloronaphthalen-2-yl)ethenyl]pyridine
CID 15352165
2,13-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 9184
8-chloro-2-[(E)-2-phenylethenyl]quinoline
CID 53474916
2-[(E)-2-isoquinolin-4-ylethenyl]quinoline;hydrochloride
CID 166234809
2-[2-(2-methylphenyl)ethenyl]quinolin-8-ol
CID 2922355
2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-8-nitroquinoline
CID 7972371
4-(2-benzo[f]quinolin-3-ylethenyl)phenol
CID 137229369
4-[(E)-2-benzo[f]quinolin-3-ylethenyl]phenol
CID 137229184
1-chloro-2-(1-chloronaphthalen-2-yl)oxynaphthalene
CID 176912299
2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline
CID 5377682
2-[2-(2-methoxyphenyl)ethenyl]quinolin-8-ol
CID 2907055
[2,4-dichloro-6-[2-(8-methoxyquinolin-2-yl)ethenyl]phenyl] acetate
CID 2949472

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(1-chloronaphthalen-2-yl)ethenyl]benzo[h]quinoline?
The IUPAC name of 2-[(E)-2-(1-chloronaphthalen-2-yl)ethenyl]benzo[h]quinoline (CID 11726379) is 2-[(E)-2-(1-chloronaphthalen-2-yl)ethenyl]benzo[h]quinoline.
What is the SMILES notation for 2-[(E)-2-(1-chloronaphthalen-2-yl)ethenyl]benzo[h]quinoline?
The canonical SMILES for 2-[(E)-2-(1-chloronaphthalen-2-yl)ethenyl]benzo[h]quinoline is Clc1c(/C=C/c2ccc3ccc4ccccc4c3n2)ccc2ccccc12.
What is the InChIKey of 2-[(E)-2-(1-chloronaphthalen-2-yl)ethenyl]benzo[h]quinoline?
The InChIKey is MECKTPSNGFUACM-FYWRMAATSA-N. The full InChI is InChI=1S/C25H16ClN/c26-24-19(11-9-17-5-1-3-7-22(17)24)13-15-21-16-14-20-12-10-18-6-2-4-8-23(18)25(20)27-21/h1-16H/b15-13+.
What are the key properties of 2-[(E)-2-(1-chloronaphthalen-2-yl)ethenyl]benzo[h]quinoline?
2-[(E)-2-(1-chloronaphthalen-2-yl)ethenyl]benzo[h]quinoline has a molecular weight of 365.86 g/mol, XLogP of 7.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(1-chloronaphthalen-2-yl)ethenyl]benzo[h]quinoline is sourced from PubChem (CID 11726379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).