10-chloro-8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline

C14H14ClNO2 — CID 43668416

IUPAC10-chloro-8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline
SMILESCCc1cc(Cl)c2cc3c(cc2n1)OCCCO3
InChIInChI=1S/C14H14ClNO2/c1-2-9-6-11(15)10-7-13-14(8-12(10)16-9)18-5-3-4-17-13/h6-8H,2-5H2,1H3
InChIKeyRSNCDBYBTAKHTN-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.61
Rot. Bonds1

About 10-chloro-8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline

10-chloro-8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline (PubChem CID 43668416) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 10-chloro-8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline.

Molecular Properties

Compound Name10-chloro-8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline
PubChem CID43668416
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name10-chloro-8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline
SMILESCCc1cc(Cl)c2cc3c(cc2n1)OCCCO3
InChIInChI=1S/C14H14ClNO2/c1-2-9-6-11(15)10-7-13-14(8-12(10)16-9)18-5-3-4-17-13/h6-8H,2-5H2,1H3
InChIKeyRSNCDBYBTAKHTN-UHFFFAOYSA-N
XLogP3.61
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-chloro-8-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline
CID 43668414
8-ethyl-N-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine
CID 63481213
(7-ethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)hydrazine
CID 62250942
N,9-diethyl-8-methyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine
CID 63481043
4-chloro-2-ethyl-6,7-dimethoxyquinoline
CID 43668679
8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]pyridine
CID 89207197
4-chloro-2-ethylquinoline-7-carboxylic acid
CID 126753847
8-methyl-9-propan-2-yl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine
CID 62915674
6-butyl-4-chloro-2-ethylquinoline
CID 43668623
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethylpyrimidine
CID 43557902
(7,8-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)methanamine
CID 23557922
(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanesulfonyl chloride
CID 117478457

Frequently Asked Questions

What is the IUPAC name of 10-chloro-8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline?
The IUPAC name of 10-chloro-8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline (CID 43668416) is 10-chloro-8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline.
What is the SMILES notation for 10-chloro-8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline?
The canonical SMILES for 10-chloro-8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline is CCc1cc(Cl)c2cc3c(cc2n1)OCCCO3.
What is the InChIKey of 10-chloro-8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline?
The InChIKey is RSNCDBYBTAKHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-2-9-6-11(15)10-7-13-14(8-12(10)16-9)18-5-3-4-17-13/h6-8H,2-5H2,1H3.
What are the key properties of 10-chloro-8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline?
10-chloro-8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline has a molecular weight of 263.72 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline is sourced from PubChem (CID 43668416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).