2-chloro-7-quinolin-6-ylquinoline

C18H11ClN2 — CID 176598696

IUPAC2-chloro-7-quinolin-6-ylquinoline
SMILESClc1ccc2ccc(-c3ccc4ncccc4c3)cc2n1
InChIInChI=1S/C18H11ClN2/c19-18-8-6-12-3-4-14(11-17(12)21-18)13-5-7-16-15(10-13)2-1-9-20-16/h1-11H
InChIKeyNKBFHRQTYFTULL-UHFFFAOYSA-N
MW290.75 g/mol
LogP5.10
Rot. Bonds1

About 2-chloro-7-quinolin-6-ylquinoline

2-chloro-7-quinolin-6-ylquinoline (PubChem CID 176598696) has the molecular formula C18H11ClN2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-chloro-7-quinolin-6-ylquinoline.

Molecular Properties

Compound Name2-chloro-7-quinolin-6-ylquinoline
PubChem CID176598696
Molecular FormulaC18H11ClN2
Molecular Weight290.75 g/mol
Exact Mass290.06
IUPAC Name2-chloro-7-quinolin-6-ylquinoline
SMILESClc1ccc2ccc(-c3ccc4ncccc4c3)cc2n1
InChIInChI=1S/C18H11ClN2/c19-18-8-6-12-3-4-14(11-17(12)21-18)13-5-7-16-15(10-13)2-1-9-20-16/h1-11H
InChIKeyNKBFHRQTYFTULL-UHFFFAOYSA-N
XLogP5.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.75
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-(6-chloropyridazin-3-yl)quinoline
CID 81221489
6-(1H-azirin-2-yl)quinoline
CID 146540612
7-(4-chloro-2-pyridinyl)quinoline
CID 102825160
2-chloro-5-quinolin-7-ylaniline
CID 81224358
6-[4-[4,6-bis(4-anthracen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 154599225
6-(3-methylphenyl)quinoline
CID 4185278
2-[7-[2-[4-(1,10-phenanthrolin-2-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-1,10-phenanthroline
CID 164780762
1-(2-chloro-4-quinolin-6-ylphenyl)ethanamine
CID 82781912
6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]quinoline
CID 102716462
6-[4,6-bis(4-anthracen-2-ylphenyl)pyrimidin-2-yl]quinoline
CID 154599222
6-[4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]phenyl]quinoline
CID 167411285
7-(7-phenanthren-2-ylnaphthalen-2-yl)quinoline
CID 121287261

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-quinolin-6-ylquinoline?
The IUPAC name of 2-chloro-7-quinolin-6-ylquinoline (CID 176598696) is 2-chloro-7-quinolin-6-ylquinoline.
What is the SMILES notation for 2-chloro-7-quinolin-6-ylquinoline?
The canonical SMILES for 2-chloro-7-quinolin-6-ylquinoline is Clc1ccc2ccc(-c3ccc4ncccc4c3)cc2n1.
What is the InChIKey of 2-chloro-7-quinolin-6-ylquinoline?
The InChIKey is NKBFHRQTYFTULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2/c19-18-8-6-12-3-4-14(11-17(12)21-18)13-5-7-16-15(10-13)2-1-9-20-16/h1-11H.
What are the key properties of 2-chloro-7-quinolin-6-ylquinoline?
2-chloro-7-quinolin-6-ylquinoline has a molecular weight of 290.75 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-quinolin-6-ylquinoline is sourced from PubChem (CID 176598696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).