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

C24H22N2O3 — CID 95228152

IUPAC2-[(4S)-spiro[azepane-4,2'-chromene]-1-carbonyl]-1H-quinolin-4-one
SMILESO=C(c1cc(=O)c2ccccc2[nH]1)N1CCC[C@@]2(C=Cc3ccccc3O2)CC1
InChIInChI=1S/C24H22N2O3/c27-21-16-20(25-19-8-3-2-7-18(19)21)23(28)26-14-5-11-24(13-15-26)12-10-17-6-1-4-9-22(17)29-24/h1-4,6-10,12,16H,5,11,13-15H2,(H,25,27)/t24-/m1/s1
InChIKeyRHQOPKZKTMCVTB-XMMPIXPASA-N
MW386.45 g/mol
LogP4.00
Rot. Bonds1

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

2-[(4S)-spiro[azepane-4,2'-chromene]-1-carbonyl]-1H-quinolin-4-one (PubChem CID 95228152) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-[(4S)-spiro[azepane-4,2'-chromene]-1-carbonyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[(4S)-spiro[azepane-4,2'-chromene]-1-carbonyl]-1H-quinolin-4-one
PubChem CID95228152
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name2-[(4S)-spiro[azepane-4,2'-chromene]-1-carbonyl]-1H-quinolin-4-one
SMILESO=C(c1cc(=O)c2ccccc2[nH]1)N1CCC[C@@]2(C=Cc3ccccc3O2)CC1
InChIInChI=1S/C24H22N2O3/c27-21-16-20(25-19-8-3-2-7-18(19)21)23(28)26-14-5-11-24(13-15-26)12-10-17-6-1-4-9-22(17)29-24/h1-4,6-10,12,16H,5,11,13-15H2,(H,25,27)/t24-/m1/s1
InChIKeyRHQOPKZKTMCVTB-XMMPIXPASA-N
XLogP4.00
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4S)-spiro[azepane-4,2'-chromene]-1-carbonyl]-1H-pyridin-2-one
CID 95127743
2-(piperidine-1-carbonyl)-1H-quinolin-4-one
CID 47120448
(3,5-dihydroxy-4-methylphenyl)-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]methanone
CID 95125753
2-(spiro[azepane-4,2'-chromene]-1-carbonyl)benzonitrile
CID 50964126
spiro[azepane-4,2'-chromene]-1-yl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 50960991
(2-methoxypyrimidin-5-yl)-[(4S)-spiro[azepane-4,2'-chromene]-1-yl]methanone
CID 95125230
isoquinolin-5-yl(spiro[azepane-4,2'-chromene]-1-yl)methanone
CID 50959341
2-propan-2-yloxy-1-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]ethanone
CID 95122993
3-ethyl-8-(4-oxo-1H-quinoline-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70714965
[2-(methylamino)-3-pyridinyl]-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]methanone
CID 95147443
2-(3-oxo-1,4-diazepane-1-carbonyl)-1H-quinolin-4-one
CID 62897216
(2-bromophenyl)-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)methanone
CID 108754025

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-spiro[azepane-4,2'-chromene]-1-carbonyl]-1H-quinolin-4-one?
The IUPAC name of 2-[(4S)-spiro[azepane-4,2'-chromene]-1-carbonyl]-1H-quinolin-4-one (CID 95228152) is 2-[(4S)-spiro[azepane-4,2'-chromene]-1-carbonyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-[(4S)-spiro[azepane-4,2'-chromene]-1-carbonyl]-1H-quinolin-4-one?
The canonical SMILES for 2-[(4S)-spiro[azepane-4,2'-chromene]-1-carbonyl]-1H-quinolin-4-one is O=C(c1cc(=O)c2ccccc2[nH]1)N1CCC[C@@]2(C=Cc3ccccc3O2)CC1.
What is the InChIKey of 2-[(4S)-spiro[azepane-4,2'-chromene]-1-carbonyl]-1H-quinolin-4-one?
The InChIKey is RHQOPKZKTMCVTB-XMMPIXPASA-N. The full InChI is InChI=1S/C24H22N2O3/c27-21-16-20(25-19-8-3-2-7-18(19)21)23(28)26-14-5-11-24(13-15-26)12-10-17-6-1-4-9-22(17)29-24/h1-4,6-10,12,16H,5,11,13-15H2,(H,25,27)/t24-/m1/s1.
What are the key properties of 2-[(4S)-spiro[azepane-4,2'-chromene]-1-carbonyl]-1H-quinolin-4-one?
2-[(4S)-spiro[azepane-4,2'-chromene]-1-carbonyl]-1H-quinolin-4-one has a molecular weight of 386.45 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-spiro[azepane-4,2'-chromene]-1-carbonyl]-1H-quinolin-4-one is sourced from PubChem (CID 95228152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).