10-chloro-6,7-dihydro-[1]benzoxepino[5,4-b]quinolin-12-ol

C17H12ClNO2 — CID 101456065

IUPAC10-chloro-6,7-dihydro-[1]benzoxepino[5,4-b]quinolin-12-ol
SMILESOc1cc(Cl)cc2cc3c(nc12)-c1ccccc1OCC3
InChIInChI=1S/C17H12ClNO2/c18-12-8-11-7-10-5-6-21-15-4-2-1-3-13(15)16(10)19-17(11)14(20)9-12/h1-4,7-9,20H,5-6H2
InChIKeyWFVXDEYKKALFIU-UHFFFAOYSA-N
MW297.74 g/mol
LogP4.20
Rot. Bonds

About 10-chloro-6,7-dihydro-[1]benzoxepino[5,4-b]quinolin-12-ol

10-chloro-6,7-dihydro-[1]benzoxepino[5,4-b]quinolin-12-ol (PubChem CID 101456065) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is 10-chloro-6,7-dihydro-[1]benzoxepino[5,4-b]quinolin-12-ol.

Molecular Properties

Compound Name10-chloro-6,7-dihydro-[1]benzoxepino[5,4-b]quinolin-12-ol
PubChem CID101456065
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC Name10-chloro-6,7-dihydro-[1]benzoxepino[5,4-b]quinolin-12-ol
SMILESOc1cc(Cl)cc2cc3c(nc12)-c1ccccc1OCC3
InChIInChI=1S/C17H12ClNO2/c18-12-8-11-7-10-5-6-21-15-4-2-1-3-13(15)16(10)19-17(11)14(20)9-12/h1-4,7-9,20H,5-6H2
InChIKeyWFVXDEYKKALFIU-UHFFFAOYSA-N
XLogP4.20
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5,6-dihydro-[1]benzoxepino[5,4-d]pyrimidine
CID 10036097
4-chloro-5,6-dihydro-[1]benzoxepino[5,4-d]pyrimidine
CID 15128792
3-chloro-5H-chromeno[4,3-b]pyridine
CID 15748939
2-oxo-5,6-dihydropyrano[3,2-d][1]benzoxepine-3-carboxamide
CID 13466144
2,5-dichloro-4-(2,3-dihydro-1-benzofuran-5-yl)phenol
CID 107663413
5H-chromeno[4,3-b]pyridin-3-yl-(2-hydroxyphenyl)methanone
CID 15194252
8-oxa-13,15,16-triazatetracyclo[9.7.0.02,7.014,18]octadeca-1(18),2,4,6,11,13,16-heptaene
CID 59490807
2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 4133179
5,6-dihydro-[1]benzoxepino[4,5-d]pyridazin-3-ium
CID 173079412
(2,3-dihydrochromen-4-ylideneamino) 2-chlorobenzoate
CID 840067
6H-chromeno[4,3-b]quinolin-9-ylmethanol
CID 176891358
2,3-dihydro-1-benzofuran;ethane
CID 54441538

Frequently Asked Questions

What is the IUPAC name of 10-chloro-6,7-dihydro-[1]benzoxepino[5,4-b]quinolin-12-ol?
The IUPAC name of 10-chloro-6,7-dihydro-[1]benzoxepino[5,4-b]quinolin-12-ol (CID 101456065) is 10-chloro-6,7-dihydro-[1]benzoxepino[5,4-b]quinolin-12-ol.
What is the SMILES notation for 10-chloro-6,7-dihydro-[1]benzoxepino[5,4-b]quinolin-12-ol?
The canonical SMILES for 10-chloro-6,7-dihydro-[1]benzoxepino[5,4-b]quinolin-12-ol is Oc1cc(Cl)cc2cc3c(nc12)-c1ccccc1OCC3.
What is the InChIKey of 10-chloro-6,7-dihydro-[1]benzoxepino[5,4-b]quinolin-12-ol?
The InChIKey is WFVXDEYKKALFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2/c18-12-8-11-7-10-5-6-21-15-4-2-1-3-13(15)16(10)19-17(11)14(20)9-12/h1-4,7-9,20H,5-6H2.
What are the key properties of 10-chloro-6,7-dihydro-[1]benzoxepino[5,4-b]quinolin-12-ol?
10-chloro-6,7-dihydro-[1]benzoxepino[5,4-b]quinolin-12-ol has a molecular weight of 297.74 g/mol, XLogP of 4.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-6,7-dihydro-[1]benzoxepino[5,4-b]quinolin-12-ol is sourced from PubChem (CID 101456065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).