3-anthracen-9-ylquinoline

C23H15N — CID 170654314

IUPAC3-anthracen-9-ylquinoline
SMILESc1ccc2ncc(-c3c4ccccc4cc4ccccc34)cc2c1
InChIInChI=1S/C23H15N/c1-4-10-20-16(7-1)13-17-8-2-5-11-21(17)23(20)19-14-18-9-3-6-12-22(18)24-15-19/h1-15H
InChIKeyCWJMARALXVCFRP-UHFFFAOYSA-N
MW305.38 g/mol
LogP6.21
Rot. Bonds1

About 3-anthracen-9-ylquinoline

3-anthracen-9-ylquinoline (PubChem CID 170654314) has the molecular formula C23H15N and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-anthracen-9-ylquinoline.

Molecular Properties

Compound Name3-anthracen-9-ylquinoline
PubChem CID170654314
Molecular FormulaC23H15N
Molecular Weight305.38 g/mol
Exact Mass305.12
IUPAC Name3-anthracen-9-ylquinoline
SMILESc1ccc2ncc(-c3c4ccccc4cc4ccccc34)cc2c1
InChIInChI=1S/C23H15N/c1-4-10-20-16(7-1)13-17-8-2-5-11-21(17)23(20)19-14-18-9-3-6-12-22(18)24-15-19/h1-15H
InChIKeyCWJMARALXVCFRP-UHFFFAOYSA-N
XLogP6.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.38
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-anthracen-9-ylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[10-[4-[4-(10-quinolin-3-ylanthracen-9-yl)phenyl]phenyl]anthracen-9-yl]quinoline
CID 59861500
3-[10-[6-(10-quinolin-3-ylanthracen-9-yl)pyren-1-yl]anthracen-9-yl]quinoline
CID 59861508
3-[3-methoxy-4-(2-methoxy-3-quinolin-3-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline
CID 102419790
9-[4-(10-quinolin-3-ylanthracen-9-yl)phenyl]carbazole
CID 58273441
5-quinolin-3-ylpyrazin-2-amine
CID 29188711
4-[4-(10-phenylanthracen-9-yl)phenyl]-1-quinolin-3-ylisoquinoline
CID 118564017
3-pyridin-4-ylquinoline
CID 10081720
7,12-di(anthracen-9-yl)benzo[j]phenanthridine
CID 59183577
3-(1H-pyrazol-5-yl)quinoline
CID 22660698
3-(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)quinoline
CID 167411808
10-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 15831757
3-[4-(4-fluorophenyl)phenyl]quinoline
CID 171056588

Frequently Asked Questions

What is the IUPAC name of 3-anthracen-9-ylquinoline?
The IUPAC name of 3-anthracen-9-ylquinoline (CID 170654314) is 3-anthracen-9-ylquinoline.
What is the SMILES notation for 3-anthracen-9-ylquinoline?
The canonical SMILES for 3-anthracen-9-ylquinoline is c1ccc2ncc(-c3c4ccccc4cc4ccccc34)cc2c1.
What is the InChIKey of 3-anthracen-9-ylquinoline?
The InChIKey is CWJMARALXVCFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N/c1-4-10-20-16(7-1)13-17-8-2-5-11-21(17)23(20)19-14-18-9-3-6-12-22(18)24-15-19/h1-15H.
What are the key properties of 3-anthracen-9-ylquinoline?
3-anthracen-9-ylquinoline has a molecular weight of 305.38 g/mol, XLogP of 6.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anthracen-9-ylquinoline is sourced from PubChem (CID 170654314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).