2-chloro-6H-[1]benzoxepino[3,4-b]quinolin-13-one

C17H10ClNO2 — CID 1041680

IUPAC2-chloro-6H-[1]benzoxepino[3,4-b]quinolin-13-one
SMILESO=C1c2cc(Cl)ccc2OCc2nc3ccccc3cc21
InChIInChI=1S/C17H10ClNO2/c18-11-5-6-16-13(8-11)17(20)12-7-10-3-1-2-4-14(10)19-15(12)9-21-16/h1-8H,9H2
InChIKeyUMMBEEWMOHUJQU-UHFFFAOYSA-N
MW295.73 g/mol
LogP4.01
Rot. Bonds

About 2-chloro-6H-[1]benzoxepino[3,4-b]quinolin-13-one

2-chloro-6H-[1]benzoxepino[3,4-b]quinolin-13-one (PubChem CID 1041680) has the molecular formula C17H10ClNO2 and a molecular weight of 295.73 g/mol. Its IUPAC name is 2-chloro-6H-[1]benzoxepino[3,4-b]quinolin-13-one.

Molecular Properties

Compound Name2-chloro-6H-[1]benzoxepino[3,4-b]quinolin-13-one
PubChem CID1041680
Molecular FormulaC17H10ClNO2
Molecular Weight295.73 g/mol
Exact Mass295.04
IUPAC Name2-chloro-6H-[1]benzoxepino[3,4-b]quinolin-13-one
SMILESO=C1c2cc(Cl)ccc2OCc2nc3ccccc3cc21
InChIInChI=1S/C17H10ClNO2/c18-11-5-6-16-13(8-11)17(20)12-7-10-3-1-2-4-14(10)19-15(12)9-21-16/h1-8H,9H2
InChIKeyUMMBEEWMOHUJQU-UHFFFAOYSA-N
XLogP4.01
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-hydroxy-3-[(E)-3-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-enoyl]benzoic acid
CID 10647618
5-Chloro-2-hydroxy-3-(3-(3-(quinolin-2-ylmethoxy)phenyl)acryloyl)benzoic acid
CID 10766366
(E)-1-(5-chloro-2-methoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one
CID 44419418
Ethyl 7-[(3-chloro-4-fluorophenyl)methoxy]-2-methylquinoline-3-carboxylate
CID 86301016
3-{9-Chloro-2-phenyl-5H-chromeno[4,3-B]pyridin-4-YL}-4H-chromen-4-one
CID 17757060
3-[9-chloro-2-(4-methylphenyl)-5H-chromeno[4,3-b]pyridin-4-yl]-4H-chromen-4-one
CID 17757061
6-Chloro-3-{2-phenyl-5H-chromeno[4,3-B]pyridin-4-YL}-4H-chromen-4-one
CID 17756996
6-chloro-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carbonitrile
CID 10670511
2-Phenoxyquinoline-3-carbaldehyde
CID 28951918
2-(Quinolin-2-yl)-4h-chromen-4-one
CID 241791
Ethyl 7-((3-chlorobenzyl)oxy)-2-methylquinoline-3-carboxylate
CID 86300872
3-Quinolinecarbonyl chloride, 4-chloro-2-(4-methoxyphenyl)-
CID 3022176

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6H-[1]benzoxepino[3,4-b]quinolin-13-one?
The IUPAC name of 2-chloro-6H-[1]benzoxepino[3,4-b]quinolin-13-one (CID 1041680) is 2-chloro-6H-[1]benzoxepino[3,4-b]quinolin-13-one.
What is the SMILES notation for 2-chloro-6H-[1]benzoxepino[3,4-b]quinolin-13-one?
The canonical SMILES for 2-chloro-6H-[1]benzoxepino[3,4-b]quinolin-13-one is O=C1c2cc(Cl)ccc2OCc2nc3ccccc3cc21.
What is the InChIKey of 2-chloro-6H-[1]benzoxepino[3,4-b]quinolin-13-one?
The InChIKey is UMMBEEWMOHUJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClNO2/c18-11-5-6-16-13(8-11)17(20)12-7-10-3-1-2-4-14(10)19-15(12)9-21-16/h1-8H,9H2.
What are the key properties of 2-chloro-6H-[1]benzoxepino[3,4-b]quinolin-13-one?
2-chloro-6H-[1]benzoxepino[3,4-b]quinolin-13-one has a molecular weight of 295.73 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6H-[1]benzoxepino[3,4-b]quinolin-13-one is sourced from PubChem (CID 1041680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).