(1S)-1-methylspiro[2,4-dihydro-1H-benzo[f]quinoline-3,1'-cyclohexane]

C19H23N — CID 7390381

IUPAC(1S)-1-methylspiro[2,4-dihydro-1H-benzo[f]quinoline-3,1'-cyclohexane]
SMILESC[C@H]1CC2(CCCCC2)Nc2ccc3ccccc3c21
InChIInChI=1S/C19H23N/c1-14-13-19(11-5-2-6-12-19)20-17-10-9-15-7-3-4-8-16(15)18(14)17/h3-4,7-10,14,20H,2,5-6,11-13H2,1H3/t14-/m0/s1
InChIKeyUJJHDDJMKONPHZ-AWEZNQCLSA-N
MW265.40 g/mol
LogP5.46
Rot. Bonds

About (1S)-1-methylspiro[2,4-dihydro-1H-benzo[f]quinoline-3,1'-cyclohexane]

(1S)-1-methylspiro[2,4-dihydro-1H-benzo[f]quinoline-3,1'-cyclohexane] (PubChem CID 7390381) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is (1S)-1-methylspiro[2,4-dihydro-1H-benzo[f]quinoline-3,1'-cyclohexane].

Molecular Properties

Compound Name(1S)-1-methylspiro[2,4-dihydro-1H-benzo[f]quinoline-3,1'-cyclohexane]
PubChem CID7390381
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name(1S)-1-methylspiro[2,4-dihydro-1H-benzo[f]quinoline-3,1'-cyclohexane]
SMILESC[C@H]1CC2(CCCCC2)Nc2ccc3ccccc3c21
InChIInChI=1S/C19H23N/c1-14-13-19(11-5-2-6-12-19)20-17-10-9-15-7-3-4-8-16(15)18(14)17/h3-4,7-10,14,20H,2,5-6,11-13H2,1H3/t14-/m0/s1
InChIKeyUJJHDDJMKONPHZ-AWEZNQCLSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.40
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-methylspiro[2,4-dihydro-1H-benzo[f]quinoline-3,1'-cyclohexane]?
The IUPAC name of (1S)-1-methylspiro[2,4-dihydro-1H-benzo[f]quinoline-3,1'-cyclohexane] (CID 7390381) is (1S)-1-methylspiro[2,4-dihydro-1H-benzo[f]quinoline-3,1'-cyclohexane].
What is the SMILES notation for (1S)-1-methylspiro[2,4-dihydro-1H-benzo[f]quinoline-3,1'-cyclohexane]?
The canonical SMILES for (1S)-1-methylspiro[2,4-dihydro-1H-benzo[f]quinoline-3,1'-cyclohexane] is C[C@H]1CC2(CCCCC2)Nc2ccc3ccccc3c21.
What is the InChIKey of (1S)-1-methylspiro[2,4-dihydro-1H-benzo[f]quinoline-3,1'-cyclohexane]?
The InChIKey is UJJHDDJMKONPHZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N/c1-14-13-19(11-5-2-6-12-19)20-17-10-9-15-7-3-4-8-16(15)18(14)17/h3-4,7-10,14,20H,2,5-6,11-13H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-1-methylspiro[2,4-dihydro-1H-benzo[f]quinoline-3,1'-cyclohexane]?
(1S)-1-methylspiro[2,4-dihydro-1H-benzo[f]quinoline-3,1'-cyclohexane] has a molecular weight of 265.40 g/mol, XLogP of 5.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-methylspiro[2,4-dihydro-1H-benzo[f]quinoline-3,1'-cyclohexane] is sourced from PubChem (CID 7390381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).