1,3-bis(4-methoxyphenyl)benzo[f]quinoline

C27H21NO2 — CID 17201995

IUPAC1,3-bis(4-methoxyphenyl)benzo[f]quinoline
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)c3c(ccc4ccccc43)n2)cc1
InChIInChI=1S/C27H21NO2/c1-29-21-12-7-19(8-13-21)24-17-26(20-9-14-22(30-2)15-10-20)28-25-16-11-18-5-3-4-6-23(18)27(24)25/h3-17H,1-2H3
InChIKeyVBDQKBCDMKNGIW-UHFFFAOYSA-N
MW391.47 g/mol
LogP6.74
Rot. Bonds4

About 1,3-bis(4-methoxyphenyl)benzo[f]quinoline

1,3-bis(4-methoxyphenyl)benzo[f]quinoline (PubChem CID 17201995) has the molecular formula C27H21NO2 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1,3-bis(4-methoxyphenyl)benzo[f]quinoline.

Molecular Properties

Compound Name1,3-bis(4-methoxyphenyl)benzo[f]quinoline
PubChem CID17201995
Molecular FormulaC27H21NO2
Molecular Weight391.47 g/mol
Exact Mass391.16
IUPAC Name1,3-bis(4-methoxyphenyl)benzo[f]quinoline
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)c3c(ccc4ccccc43)n2)cc1
InChIInChI=1S/C27H21NO2/c1-29-21-12-7-19(8-13-21)24-17-26(20-9-14-22(30-2)15-10-20)28-25-16-11-18-5-3-4-6-23(18)27(24)25/h3-17H,1-2H3
InChIKeyVBDQKBCDMKNGIW-UHFFFAOYSA-N
XLogP6.74
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,3-bis(4-methoxyphenyl)benzo[f]quinoline 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-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)benzo[f]quinoline
CID 44613761
1,3-bis(4-chlorophenyl)benzo[f]quinoline
CID 17201997
1-(4-chlorophenyl)-3-(4-ethoxyphenyl)benzo[f]quinoline;hydrochloride
CID 90485158
1-phenyl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185311
3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline
CID 17202000
3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[f]quinoline
CID 146185305
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
1-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline
CID 138644120
1-phenyl-3-pyridin-4-ylbenzo[f]quinoline chloride
CID 53347208
1-(4-bromophenyl)-3-pyridin-4-ylbenzo[f]quinoline
CID 2248141
8-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzo[f]quinoline
CID 166569139
1-phenyl-3-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[f]quinoline
CID 146185379

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-methoxyphenyl)benzo[f]quinoline?
The IUPAC name of 1,3-bis(4-methoxyphenyl)benzo[f]quinoline (CID 17201995) is 1,3-bis(4-methoxyphenyl)benzo[f]quinoline.
What is the SMILES notation for 1,3-bis(4-methoxyphenyl)benzo[f]quinoline?
The canonical SMILES for 1,3-bis(4-methoxyphenyl)benzo[f]quinoline is COc1ccc(-c2cc(-c3ccc(OC)cc3)c3c(ccc4ccccc43)n2)cc1.
What is the InChIKey of 1,3-bis(4-methoxyphenyl)benzo[f]quinoline?
The InChIKey is VBDQKBCDMKNGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO2/c1-29-21-12-7-19(8-13-21)24-17-26(20-9-14-22(30-2)15-10-20)28-25-16-11-18-5-3-4-6-23(18)27(24)25/h3-17H,1-2H3.
What are the key properties of 1,3-bis(4-methoxyphenyl)benzo[f]quinoline?
1,3-bis(4-methoxyphenyl)benzo[f]quinoline has a molecular weight of 391.47 g/mol, XLogP of 6.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-methoxyphenyl)benzo[f]quinoline is sourced from PubChem (CID 17201995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).