(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone

C19H17ClFNO3 — CID 55969626

IUPAC(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1cc(Cl)c2c(c1)OCCCO2)N1CCCc2ccc(F)cc21
InChIInChI=1S/C19H17ClFNO3/c20-15-9-13(10-17-18(15)25-8-2-7-24-17)19(23)22-6-1-3-12-4-5-14(21)11-16(12)22/h4-5,9-11H,1-3,6-8H2
InChIKeyHMZXOYPPCVSALC-UHFFFAOYSA-N
MW361.80 g/mol
LogP4.23
Rot. Bonds1

About (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone

(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 55969626) has the molecular formula C19H17ClFNO3 and a molecular weight of 361.80 g/mol. Its IUPAC name is (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID55969626
Molecular FormulaC19H17ClFNO3
Molecular Weight361.80 g/mol
Exact Mass361.09
IUPAC Name(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1cc(Cl)c2c(c1)OCCCO2)N1CCCc2ccc(F)cc21
InChIInChI=1S/C19H17ClFNO3/c20-15-9-13(10-17-18(15)25-8-2-7-24-17)19(23)22-6-1-3-12-4-5-14(21)11-16(12)22/h4-5,9-11H,1-3,6-8H2
InChIKeyHMZXOYPPCVSALC-UHFFFAOYSA-N
XLogP4.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

1-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435397
(3,5-dichloro-4-hydroxyphenyl)-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 11624297
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 43062745
(6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(7-chloro-1,3-benzodioxol-5-yl)methanone
CID 51131803
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone
CID 8891490
1-[4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)piperazin-1-yl]ethanone
CID 29202220
(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)methanone
CID 27674469
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-fluorophenyl)methanone
CID 62266898
(7-chloro-1,3-benzodioxol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55600286
(3,5-dichloro-4-hydroxyphenyl)-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone;6-fluoro-3,4-dihydro-2H-1,4-benzoxazine
CID 159894981
1-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)piperidine-4-carboxylic acid
CID 45341302
9-chloro-2,3,4,5-tetrahydro-1-benzoxepine-7-carboxylic acid
CID 57367897

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 55969626) is (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CCCc2ccc(F)cc21.
What is the InChIKey of (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is HMZXOYPPCVSALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFNO3/c20-15-9-13(10-17-18(15)25-8-2-7-24-17)19(23)22-6-1-3-12-4-5-14(21)11-16(12)22/h4-5,9-11H,1-3,6-8H2.
What are the key properties of (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 361.80 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 55969626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).