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

C15H16ClNO2 — CID 43668414

IUPAC10-chloro-8-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline
SMILESCCCc1cc(Cl)c2cc3c(cc2n1)OCCCO3
InChIInChI=1S/C15H16ClNO2/c1-2-4-10-7-12(16)11-8-14-15(9-13(11)17-10)19-6-3-5-18-14/h7-9H,2-6H2,1H3
InChIKeyUFIIEAWVYHPOAB-UHFFFAOYSA-N
MW277.75 g/mol
LogP4.00
Rot. Bonds2

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

10-chloro-8-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline (PubChem CID 43668414) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 10-chloro-8-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline.

Molecular Properties

Compound Name10-chloro-8-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline
PubChem CID43668414
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name10-chloro-8-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline
SMILESCCCc1cc(Cl)c2cc3c(cc2n1)OCCCO3
InChIInChI=1S/C15H16ClNO2/c1-2-4-10-7-12(16)11-8-14-15(9-13(11)17-10)19-6-3-5-18-14/h7-9H,2-6H2,1H3
InChIKeyUFIIEAWVYHPOAB-UHFFFAOYSA-N
XLogP4.00
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-chloro-8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline
CID 43668416
4-chloro-6,7-dimethoxy-2-propylquinoline
CID 43668677
4-chloro-2,6-dipropylquinoline
CID 43668449
N,9-diethyl-8-methyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine
CID 63481043
8-ethyl-N-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine
CID 63481213
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylpyrimidine
CID 43557667
5-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-ethylpentan-1-amine
CID 65305381
(7-ethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)hydrazine
CID 62250942
4,5,7-trichloro-6-fluoro-2-propylquinoline
CID 107577483
4,6-dichloro-8-fluoro-2-propylquinoline
CID 43668690
4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-propyl-1,3-thiazol-5-amine
CID 62081862
4-chloro-1-methyl-6-propylpyrazolo[3,4-b]pyridine
CID 119053928

Frequently Asked Questions

What is the IUPAC name of 10-chloro-8-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline?
The IUPAC name of 10-chloro-8-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline (CID 43668414) is 10-chloro-8-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline.
What is the SMILES notation for 10-chloro-8-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline?
The canonical SMILES for 10-chloro-8-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline is CCCc1cc(Cl)c2cc3c(cc2n1)OCCCO3.
What is the InChIKey of 10-chloro-8-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline?
The InChIKey is UFIIEAWVYHPOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-2-4-10-7-12(16)11-8-14-15(9-13(11)17-10)19-6-3-5-18-14/h7-9H,2-6H2,1H3.
What are the key properties of 10-chloro-8-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline?
10-chloro-8-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline has a molecular weight of 277.75 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-8-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline is sourced from PubChem (CID 43668414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).