2,9-dimethyl-12-naphthalen-1-ylquinolino[2,3-b]quinoline

C28H20N2 — CID 139215723

IUPAC2,9-dimethyl-12-naphthalen-1-ylquinolino[2,3-b]quinoline
SMILESCc1ccc2nc3nc4ccc(C)cc4c(-c4cccc5ccccc45)c3cc2c1
InChIInChI=1S/C28H20N2/c1-17-10-12-25-20(14-17)16-24-27(22-9-5-7-19-6-3-4-8-21(19)22)23-15-18(2)11-13-26(23)30-28(24)29-25/h3-16H,1-2H3
InChIKeyBYNSJDHKJKAHAD-UHFFFAOYSA-N
MW384.48 g/mol
LogP7.37
Rot. Bonds1

About 2,9-dimethyl-12-naphthalen-1-ylquinolino[2,3-b]quinoline

2,9-dimethyl-12-naphthalen-1-ylquinolino[2,3-b]quinoline (PubChem CID 139215723) has the molecular formula C28H20N2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2,9-dimethyl-12-naphthalen-1-ylquinolino[2,3-b]quinoline.

Molecular Properties

Compound Name2,9-dimethyl-12-naphthalen-1-ylquinolino[2,3-b]quinoline
PubChem CID139215723
Molecular FormulaC28H20N2
Molecular Weight384.48 g/mol
Exact Mass384.16
IUPAC Name2,9-dimethyl-12-naphthalen-1-ylquinolino[2,3-b]quinoline
SMILESCc1ccc2nc3nc4ccc(C)cc4c(-c4cccc5ccccc45)c3cc2c1
InChIInChI=1S/C28H20N2/c1-17-10-12-25-20(14-17)16-24-27(22-9-5-7-19-6-3-4-8-21(19)22)23-15-18(2)11-13-26(23)30-28(24)29-25/h3-16H,1-2H3
InChIKeyBYNSJDHKJKAHAD-UHFFFAOYSA-N
XLogP7.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4,7,9-Tetramethylbenzo[b][1,8]naphthyridin-5-amine
CID 765471
5-Methyl-6-phenylquinazoline-2,4-diamine
CID 25271556
6-(4-Methyl-piperazin-1-yl)-phenanthridine
CID 9993659
Benzo[f]quinazoline-1,3-diamine
CID 456184
7-Ethyl-2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine
CID 711946
4-Cyclohexyl-2-phenylquinazoline
CID 23640938
2,4,9-Trimethylbenzo(b)(1,8)naphthyridin-5-amine
CID 698490
1,4,8-Trimethyl-12-quinolino[2,3-b]quinolinamine
CID 865238
2-Methyl-7-phenyl-1,8-naphthyridine
CID 12431922
2-Methyl-7-m-tolyl-1,8-naphthyridine
CID 44434735
4,6-dimethyl-N-phenylquinolin-2-amine
CID 687170
Dibenzo(f,h)pyrido(2,3-b)quinoxaline
CID 258692

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-12-naphthalen-1-ylquinolino[2,3-b]quinoline?
The IUPAC name of 2,9-dimethyl-12-naphthalen-1-ylquinolino[2,3-b]quinoline (CID 139215723) is 2,9-dimethyl-12-naphthalen-1-ylquinolino[2,3-b]quinoline.
What is the SMILES notation for 2,9-dimethyl-12-naphthalen-1-ylquinolino[2,3-b]quinoline?
The canonical SMILES for 2,9-dimethyl-12-naphthalen-1-ylquinolino[2,3-b]quinoline is Cc1ccc2nc3nc4ccc(C)cc4c(-c4cccc5ccccc45)c3cc2c1.
What is the InChIKey of 2,9-dimethyl-12-naphthalen-1-ylquinolino[2,3-b]quinoline?
The InChIKey is BYNSJDHKJKAHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2/c1-17-10-12-25-20(14-17)16-24-27(22-9-5-7-19-6-3-4-8-21(19)22)23-15-18(2)11-13-26(23)30-28(24)29-25/h3-16H,1-2H3.
What are the key properties of 2,9-dimethyl-12-naphthalen-1-ylquinolino[2,3-b]quinoline?
2,9-dimethyl-12-naphthalen-1-ylquinolino[2,3-b]quinoline has a molecular weight of 384.48 g/mol, XLogP of 7.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-12-naphthalen-1-ylquinolino[2,3-b]quinoline is sourced from PubChem (CID 139215723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).