(7-fluoro-2-methylquinolin-4-yl)-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone

C22H21FN2O3 — CID 70713851

IUPAC(7-fluoro-2-methylquinolin-4-yl)-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone
SMILESCOc1cccc2c1OCCCN(C(=O)c1cc(C)nc3cc(F)ccc13)C2
InChIInChI=1S/C22H21FN2O3/c1-14-11-18(17-8-7-16(23)12-19(17)24-14)22(26)25-9-4-10-28-21-15(13-25)5-3-6-20(21)27-2/h3,5-8,11-12H,4,9-10,13H2,1-2H3
InChIKeyOFIQLRJSZTYCPC-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.12
Rot. Bonds2

About (7-fluoro-2-methylquinolin-4-yl)-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone

(7-fluoro-2-methylquinolin-4-yl)-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone (PubChem CID 70713851) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is (7-fluoro-2-methylquinolin-4-yl)-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone.

Molecular Properties

Compound Name(7-fluoro-2-methylquinolin-4-yl)-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone
PubChem CID70713851
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC Name(7-fluoro-2-methylquinolin-4-yl)-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone
SMILESCOc1cccc2c1OCCCN(C(=O)c1cc(C)nc3cc(F)ccc13)C2
InChIInChI=1S/C22H21FN2O3/c1-14-11-18(17-8-7-16(23)12-19(17)24-14)22(26)25-9-4-10-28-21-15(13-25)5-3-6-20(21)27-2/h3,5-8,11-12H,4,9-10,13H2,1-2H3
InChIKeyOFIQLRJSZTYCPC-UHFFFAOYSA-N
XLogP4.12
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7-fluoro-2-methylquinolin-4-yl)-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

1-[2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)phenyl]ethanone
CID 77091655
(3-fluoroimidazo[1,2-a]pyridin-2-yl)-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone
CID 72883472
1-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 131904264
(7-fluoro-2-methylquinolin-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 55604624
[4-(7-fluoro-2-methylquinoline-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 94091057
azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
CID 4732287
1-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-2-(1-methylpyrrol-2-yl)ethane-1,2-dione
CID 77083454
1-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 77090071
(7-fluoro-2-methylquinolin-4-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 70740511
(2R)-2-amino-1-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-4-methylpentan-1-one
CID 56878940
4-[(3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-3-yl]benzoic acid
CID 97204575
(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(7-fluoro-2-methylquinolin-4-yl)methanone
CID 70759141

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-2-methylquinolin-4-yl)-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone?
The IUPAC name of (7-fluoro-2-methylquinolin-4-yl)-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone (CID 70713851) is (7-fluoro-2-methylquinolin-4-yl)-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone.
What is the SMILES notation for (7-fluoro-2-methylquinolin-4-yl)-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone?
The canonical SMILES for (7-fluoro-2-methylquinolin-4-yl)-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone is COc1cccc2c1OCCCN(C(=O)c1cc(C)nc3cc(F)ccc13)C2.
What is the InChIKey of (7-fluoro-2-methylquinolin-4-yl)-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone?
The InChIKey is OFIQLRJSZTYCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c1-14-11-18(17-8-7-16(23)12-19(17)24-14)22(26)25-9-4-10-28-21-15(13-25)5-3-6-20(21)27-2/h3,5-8,11-12H,4,9-10,13H2,1-2H3.
What are the key properties of (7-fluoro-2-methylquinolin-4-yl)-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone?
(7-fluoro-2-methylquinolin-4-yl)-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone has a molecular weight of 380.42 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-2-methylquinolin-4-yl)-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone is sourced from PubChem (CID 70713851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).