Cryptolepine

C16H12N2 — CID 82143

IUPAC5-methylindolo[3,2-b]quinoline
SMILESCN1C2=CC=CC=C2C=C3C1=C4C=CC=CC4=N3
InChIInChI=1S/C16H12N2/c1-18-15-9-5-2-6-11(15)10-14-16(18)12-7-3-4-8-13(12)17-14/h2-10H,1H3
InChIKeyKURWKDDWCJELSV-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.30
Rot. Bonds

About Cryptolepine

Cryptolepine (PubChem CID 82143) has the molecular formula C16H12N2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-methylindolo[3,2-b]quinoline.

Molecular Properties

Compound NameCryptolepine
PubChem CID82143
Molecular FormulaC16H12N2
Molecular Weight232.28 g/mol
Exact Mass232.10
IUPAC Name5-methylindolo[3,2-b]quinoline
SMILESCN1C2=CC=CC=C2C=C3C1=C4C=CC=CC4=N3
InChIInChI=1S/C16H12N2/c1-18-15-9-5-2-6-11(15)10-14-16(18)12-7-3-4-8-13(12)17-14/h2-10H,1H3
InChIKeyKURWKDDWCJELSV-UHFFFAOYSA-N
XLogP3.30
TPSA17.80 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity316

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of Cryptolepine?
The IUPAC name of Cryptolepine (CID 82143) is 5-methylindolo[3,2-b]quinoline.
What is the SMILES notation for Cryptolepine?
The canonical SMILES for Cryptolepine is CN1C2=CC=CC=C2C=C3C1=C4C=CC=CC4=N3.
What is the InChIKey of Cryptolepine?
The InChIKey is KURWKDDWCJELSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2/c1-18-15-9-5-2-6-11(15)10-14-16(18)12-7-3-4-8-13(12)17-14/h2-10H,1H3.
What are the key properties of Cryptolepine?
Cryptolepine has a molecular weight of 232.28 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Cryptolepine is sourced from PubChem (CID 82143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).