5'-methyl-12'a-phenylspiro[cyclohexane-1,12'-indolo[1,2-c]quinazoline]-6'-one

C27H26N2O — CID 164685176

IUPAC5'-methyl-12'a-phenylspiro[cyclohexane-1,12'-indolo[1,2-c]quinazoline]-6'-one
SMILESCN1C(=O)N2c3ccccc3C3(CCCCC3)C2(c2ccccc2)c2ccccc21
InChIInChI=1S/C27H26N2O/c1-28-23-16-8-7-15-22(23)27(20-12-4-2-5-13-20)26(18-10-3-11-19-26)21-14-6-9-17-24(21)29(27)25(28)30/h2,4-9,12-17H,3,10-11,18-19H2,1H3
InChIKeyKXRSWNKOUFURLX-UHFFFAOYSA-N
MW394.52 g/mol
LogP6.22
Rot. Bonds1

About 5'-methyl-12'a-phenylspiro[cyclohexane-1,12'-indolo[1,2-c]quinazoline]-6'-one

5'-methyl-12'a-phenylspiro[cyclohexane-1,12'-indolo[1,2-c]quinazoline]-6'-one (PubChem CID 164685176) has the molecular formula C27H26N2O and a molecular weight of 394.52 g/mol. Its IUPAC name is 5'-methyl-12'a-phenylspiro[cyclohexane-1,12'-indolo[1,2-c]quinazoline]-6'-one.

Molecular Properties

Compound Name5'-methyl-12'a-phenylspiro[cyclohexane-1,12'-indolo[1,2-c]quinazoline]-6'-one
PubChem CID164685176
Molecular FormulaC27H26N2O
Molecular Weight394.52 g/mol
Exact Mass394.20
IUPAC Name5'-methyl-12'a-phenylspiro[cyclohexane-1,12'-indolo[1,2-c]quinazoline]-6'-one
SMILESCN1C(=O)N2c3ccccc3C3(CCCCC3)C2(c2ccccc2)c2ccccc21
InChIInChI=1S/C27H26N2O/c1-28-23-16-8-7-15-22(23)27(20-12-4-2-5-13-20)26(18-10-3-11-19-26)21-14-6-9-17-24(21)29(27)25(28)30/h2,4-9,12-17H,3,10-11,18-19H2,1H3
InChIKeyKXRSWNKOUFURLX-UHFFFAOYSA-N
XLogP6.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,4-trimethyl-4-phenyl-3H-quinoline-1-carboxamide
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US11685729, Example 18
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1-Ethyl-3-((2R,6S,9aR)-6-phenyl-octahydro-quinolizin-2-yl)-1,3-dihydro-benzoimidazol-2-one
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1-Ethyl-3-((2S,6S,9aR)-6-phenyl-octahydro-quinolizin-2-yl)-1,3-dihydro-benzoimidazol-2-one
CID 44297697
US11685729, Example 14
CID 142623821
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CID 135391900
1,3-Dibenzylperimidin-2-one
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N-ethyl-1'-(naphthalen-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
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N-ethyl-1'-(2-naphthalen-1-ylethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 172435567
1-[1-(2,6-Dimethylphenyl)piperidin-4-yl]-3-[(2-methylphenyl)methyl]benzimidazol-2-one
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Frequently Asked Questions

What is the IUPAC name of 5'-methyl-12'a-phenylspiro[cyclohexane-1,12'-indolo[1,2-c]quinazoline]-6'-one?
The IUPAC name of 5'-methyl-12'a-phenylspiro[cyclohexane-1,12'-indolo[1,2-c]quinazoline]-6'-one (CID 164685176) is 5'-methyl-12'a-phenylspiro[cyclohexane-1,12'-indolo[1,2-c]quinazoline]-6'-one.
What is the SMILES notation for 5'-methyl-12'a-phenylspiro[cyclohexane-1,12'-indolo[1,2-c]quinazoline]-6'-one?
The canonical SMILES for 5'-methyl-12'a-phenylspiro[cyclohexane-1,12'-indolo[1,2-c]quinazoline]-6'-one is CN1C(=O)N2c3ccccc3C3(CCCCC3)C2(c2ccccc2)c2ccccc21.
What is the InChIKey of 5'-methyl-12'a-phenylspiro[cyclohexane-1,12'-indolo[1,2-c]quinazoline]-6'-one?
The InChIKey is KXRSWNKOUFURLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O/c1-28-23-16-8-7-15-22(23)27(20-12-4-2-5-13-20)26(18-10-3-11-19-26)21-14-6-9-17-24(21)29(27)25(28)30/h2,4-9,12-17H,3,10-11,18-19H2,1H3.
What are the key properties of 5'-methyl-12'a-phenylspiro[cyclohexane-1,12'-indolo[1,2-c]quinazoline]-6'-one?
5'-methyl-12'a-phenylspiro[cyclohexane-1,12'-indolo[1,2-c]quinazoline]-6'-one has a molecular weight of 394.52 g/mol, XLogP of 6.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-methyl-12'a-phenylspiro[cyclohexane-1,12'-indolo[1,2-c]quinazoline]-6'-one is sourced from PubChem (CID 164685176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).