N-[4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl]-1-phenylmethanimine

C26H24N2 — CID 3468086

IUPACN-[4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl]-1-phenylmethanimine
SMILESCc1ccc2c(c1)C1C=CCC1C(c1ccc(/N=C/c3ccccc3)cc1)N2
InChIInChI=1S/C26H24N2/c1-18-10-15-25-24(16-18)22-8-5-9-23(22)26(28-25)20-11-13-21(14-12-20)27-17-19-6-3-2-4-7-19/h2-8,10-17,22-23,26,28H,9H2,1H3/b27-17+
InChIKeyQLXPYLKCHCENEO-WPWMEQJKSA-N
MW364.49 g/mol
LogP6.57
Rot. Bonds3

About N-[4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl]-1-phenylmethanimine

N-[4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl]-1-phenylmethanimine (PubChem CID 3468086) has the molecular formula C26H24N2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl]-1-phenylmethanimine
PubChem CID3468086
Molecular FormulaC26H24N2
Molecular Weight364.49 g/mol
Exact Mass364.19
IUPAC NameN-[4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl]-1-phenylmethanimine
SMILESCc1ccc2c(c1)C1C=CCC1C(c1ccc(/N=C/c3ccccc3)cc1)N2
InChIInChI=1S/C26H24N2/c1-18-10-15-25-24(16-18)22-8-5-9-23(22)26(28-25)20-11-13-21(14-12-20)27-17-19-6-3-2-4-7-19/h2-8,10-17,22-23,26,28H,9H2,1H3/b27-17+
InChIKeyQLXPYLKCHCENEO-WPWMEQJKSA-N
XLogP6.57
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl]-1-phenylmethanimine?
The IUPAC name of N-[4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl]-1-phenylmethanimine (CID 3468086) is N-[4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl]-1-phenylmethanimine.
What is the SMILES notation for N-[4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl]-1-phenylmethanimine?
The canonical SMILES for N-[4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl]-1-phenylmethanimine is Cc1ccc2c(c1)C1C=CCC1C(c1ccc(/N=C/c3ccccc3)cc1)N2.
What is the InChIKey of N-[4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl]-1-phenylmethanimine?
The InChIKey is QLXPYLKCHCENEO-WPWMEQJKSA-N. The full InChI is InChI=1S/C26H24N2/c1-18-10-15-25-24(16-18)22-8-5-9-23(22)26(28-25)20-11-13-21(14-12-20)27-17-19-6-3-2-4-7-19/h2-8,10-17,22-23,26,28H,9H2,1H3/b27-17+.
What are the key properties of N-[4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl]-1-phenylmethanimine?
N-[4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl]-1-phenylmethanimine has a molecular weight of 364.49 g/mol, XLogP of 6.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl]-1-phenylmethanimine is sourced from PubChem (CID 3468086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).