5-methylspiro[12aH-indolo[1,2-c]quinazoline-12,1'-cyclohexane]-6-one

C21H22N2O — CID 164678059

IUPAC5-methylspiro[12aH-indolo[1,2-c]quinazoline-12,1'-cyclohexane]-6-one
SMILESCN1C(=O)N2c3ccccc3C3(CCCCC3)C2c2ccccc21
InChIInChI=1S/C21H22N2O/c1-22-17-11-5-3-9-15(17)19-21(13-7-2-8-14-21)16-10-4-6-12-18(16)23(19)20(22)24/h3-6,9-12,19H,2,7-8,13-14H2,1H3
InChIKeyIAJHHBWCJJOGRP-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.02
Rot. Bonds

About 5-methylspiro[12aH-indolo[1,2-c]quinazoline-12,1'-cyclohexane]-6-one

5-methylspiro[12aH-indolo[1,2-c]quinazoline-12,1'-cyclohexane]-6-one (PubChem CID 164678059) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 5-methylspiro[12aH-indolo[1,2-c]quinazoline-12,1'-cyclohexane]-6-one.

Molecular Properties

Compound Name5-methylspiro[12aH-indolo[1,2-c]quinazoline-12,1'-cyclohexane]-6-one
PubChem CID164678059
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name5-methylspiro[12aH-indolo[1,2-c]quinazoline-12,1'-cyclohexane]-6-one
SMILESCN1C(=O)N2c3ccccc3C3(CCCCC3)C2c2ccccc21
InChIInChI=1S/C21H22N2O/c1-22-17-11-5-3-9-15(17)19-21(13-7-2-8-14-21)16-10-4-6-12-18(16)23(19)20(22)24/h3-6,9-12,19H,2,7-8,13-14H2,1H3
InChIKeyIAJHHBWCJJOGRP-UHFFFAOYSA-N
XLogP5.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-methylspiro[12aH-indolo[1,2-c]quinazoline-12,1'-cyclohexane]-6-one with MolForge

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Related Compounds

Oxatomide
CID 4615
1-((2R,6S,9aR)-6-Phenyl-octahydro-quinolizin-2-yl)-1,3-dihydro-benzoimidazol-2-one
CID 10066285
Brl46470;brl-46470;brl 46470
CID 9883287
N-(2-ethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 3869589
Brl-46470
CID 71785
Benzimidazolone scaffold, 8b
CID 42618254
Benzimidazolone scaffold, 8e
CID 42618257
Benzimidazolone scaffold, 8f
CID 42618258
(10R)-10-(dipropylamino)-3-propyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 127047229
(3S,4S)-N,3-diphenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidine-1-carboxamide
CID 489805
2,2,4-trimethyl-4-phenyl-3H-quinoline-1-carboxamide
CID 4440860
N,N-diethyl-1-indolinecarboxamide
CID 2987329

Frequently Asked Questions

What is the IUPAC name of 5-methylspiro[12aH-indolo[1,2-c]quinazoline-12,1'-cyclohexane]-6-one?
The IUPAC name of 5-methylspiro[12aH-indolo[1,2-c]quinazoline-12,1'-cyclohexane]-6-one (CID 164678059) is 5-methylspiro[12aH-indolo[1,2-c]quinazoline-12,1'-cyclohexane]-6-one.
What is the SMILES notation for 5-methylspiro[12aH-indolo[1,2-c]quinazoline-12,1'-cyclohexane]-6-one?
The canonical SMILES for 5-methylspiro[12aH-indolo[1,2-c]quinazoline-12,1'-cyclohexane]-6-one is CN1C(=O)N2c3ccccc3C3(CCCCC3)C2c2ccccc21.
What is the InChIKey of 5-methylspiro[12aH-indolo[1,2-c]quinazoline-12,1'-cyclohexane]-6-one?
The InChIKey is IAJHHBWCJJOGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-22-17-11-5-3-9-15(17)19-21(13-7-2-8-14-21)16-10-4-6-12-18(16)23(19)20(22)24/h3-6,9-12,19H,2,7-8,13-14H2,1H3.
What are the key properties of 5-methylspiro[12aH-indolo[1,2-c]quinazoline-12,1'-cyclohexane]-6-one?
5-methylspiro[12aH-indolo[1,2-c]quinazoline-12,1'-cyclohexane]-6-one has a molecular weight of 318.42 g/mol, XLogP of 5.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylspiro[12aH-indolo[1,2-c]quinazoline-12,1'-cyclohexane]-6-one is sourced from PubChem (CID 164678059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).