N-cyclohexyl-3-methylindeno[1,2-b]quinolin-11-imine

C23H22N2 — CID 1246657

IUPACN-cyclohexyl-3-methylindeno[1,2-b]quinolin-11-imine
SMILESCc1ccc2c(c1)-c1nc3ccccc3cc1/C2=N/C1CCCCC1
InChIInChI=1S/C23H22N2/c1-15-11-12-18-19(13-15)23-20(14-16-7-5-6-10-21(16)25-23)22(18)24-17-8-3-2-4-9-17/h5-7,10-14,17H,2-4,8-9H2,1H3/b24-22+
InChIKeyYFJHKTJYZYSPQI-ZNTNEXAZSA-N
MW326.44 g/mol
LogP5.69
Rot. Bonds1

About N-cyclohexyl-3-methylindeno[1,2-b]quinolin-11-imine

N-cyclohexyl-3-methylindeno[1,2-b]quinolin-11-imine (PubChem CID 1246657) has the molecular formula C23H22N2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-cyclohexyl-3-methylindeno[1,2-b]quinolin-11-imine.

Molecular Properties

Compound NameN-cyclohexyl-3-methylindeno[1,2-b]quinolin-11-imine
PubChem CID1246657
Molecular FormulaC23H22N2
Molecular Weight326.44 g/mol
Exact Mass326.18
IUPAC NameN-cyclohexyl-3-methylindeno[1,2-b]quinolin-11-imine
SMILESCc1ccc2c(c1)-c1nc3ccccc3cc1/C2=N/C1CCCCC1
InChIInChI=1S/C23H22N2/c1-15-11-12-18-19(13-15)23-20(14-16-7-5-6-10-21(16)25-23)22(18)24-17-8-3-2-4-9-17/h5-7,10-14,17H,2-4,8-9H2,1H3/b24-22+
InChIKeyYFJHKTJYZYSPQI-ZNTNEXAZSA-N
XLogP5.69
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methylindeno[1,2-b]quinolin-11-imine?
The IUPAC name of N-cyclohexyl-3-methylindeno[1,2-b]quinolin-11-imine (CID 1246657) is N-cyclohexyl-3-methylindeno[1,2-b]quinolin-11-imine.
What is the SMILES notation for N-cyclohexyl-3-methylindeno[1,2-b]quinolin-11-imine?
The canonical SMILES for N-cyclohexyl-3-methylindeno[1,2-b]quinolin-11-imine is Cc1ccc2c(c1)-c1nc3ccccc3cc1/C2=N/C1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-methylindeno[1,2-b]quinolin-11-imine?
The InChIKey is YFJHKTJYZYSPQI-ZNTNEXAZSA-N. The full InChI is InChI=1S/C23H22N2/c1-15-11-12-18-19(13-15)23-20(14-16-7-5-6-10-21(16)25-23)22(18)24-17-8-3-2-4-9-17/h5-7,10-14,17H,2-4,8-9H2,1H3/b24-22+.
What are the key properties of N-cyclohexyl-3-methylindeno[1,2-b]quinolin-11-imine?
N-cyclohexyl-3-methylindeno[1,2-b]quinolin-11-imine has a molecular weight of 326.44 g/mol, XLogP of 5.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methylindeno[1,2-b]quinolin-11-imine is sourced from PubChem (CID 1246657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).