1'-(1H-indole-4-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one

C23H22N2O3 — CID 164695838

IUPAC1'-(1H-indole-4-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one
SMILESO=C1CC2(CCCN(C(=O)c3cccc4[nH]ccc34)CC2)Oc2ccccc21
InChIInChI=1S/C23H22N2O3/c26-20-15-23(28-21-8-2-1-5-18(20)21)10-4-13-25(14-11-23)22(27)17-6-3-7-19-16(17)9-12-24-19/h1-3,5-9,12,24H,4,10-11,13-15H2
InChIKeyGRMNCEYYFBFMAO-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.20
Rot. Bonds1

About 1'-(1H-indole-4-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one

1'-(1H-indole-4-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one (PubChem CID 164695838) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1'-(1H-indole-4-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one.

Molecular Properties

Compound Name1'-(1H-indole-4-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one
PubChem CID164695838
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name1'-(1H-indole-4-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one
SMILESO=C1CC2(CCCN(C(=O)c3cccc4[nH]ccc34)CC2)Oc2ccccc21
InChIInChI=1S/C23H22N2O3/c26-20-15-23(28-21-8-2-1-5-18(20)21)10-4-13-25(14-11-23)22(27)17-6-3-7-19-16(17)9-12-24-19/h1-3,5-9,12,24H,4,10-11,13-15H2
InChIKeyGRMNCEYYFBFMAO-UHFFFAOYSA-N
XLogP4.20
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1'-(1H-indole-4-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one with MolForge

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Related Compounds

1'-(2-iodobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757554
2-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoic acid
CID 7260656
1'-(2-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260534
azepan-1-yl(1H-indol-4-yl)methanone
CID 43582350
1'-(1,5-dimethylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one
CID 164694189
1'-(1-methyl-6-oxopyridine-3-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one
CID 164691166
1'-(4-methyl-1,3-oxazole-5-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one
CID 164698644
1'-(6-oxo-1H-pyridazine-3-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one
CID 164692536
17-(hydroxymethyl)-12-(1H-indole-4-carbonyl)-9-oxa-1,12-diazatricyclo[15.2.2.03,8]henicosa-3,5,7-trien-2-one
CID 110070264
1'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one
CID 164700156
1'-[2-(difluoromethylsulfonyl)benzoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 41154125
6-chloro-1'-(naphthalene-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758396

Frequently Asked Questions

What is the IUPAC name of 1'-(1H-indole-4-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one?
The IUPAC name of 1'-(1H-indole-4-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one (CID 164695838) is 1'-(1H-indole-4-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one.
What is the SMILES notation for 1'-(1H-indole-4-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one?
The canonical SMILES for 1'-(1H-indole-4-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one is O=C1CC2(CCCN(C(=O)c3cccc4[nH]ccc34)CC2)Oc2ccccc21.
What is the InChIKey of 1'-(1H-indole-4-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one?
The InChIKey is GRMNCEYYFBFMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-20-15-23(28-21-8-2-1-5-18(20)21)10-4-13-25(14-11-23)22(27)17-6-3-7-19-16(17)9-12-24-19/h1-3,5-9,12,24H,4,10-11,13-15H2.
What are the key properties of 1'-(1H-indole-4-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one?
1'-(1H-indole-4-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one has a molecular weight of 374.44 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1H-indole-4-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one is sourced from PubChem (CID 164695838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).