(2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone

C17H16FNO2 — CID 116554428

IUPAC(2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
SMILESCOc1cccc(C(=O)c2ccc3c(c2)CCCN3)c1F
InChIInChI=1S/C17H16FNO2/c1-21-15-6-2-5-13(16(15)18)17(20)12-7-8-14-11(10-12)4-3-9-19-14/h2,5-8,10,19H,3-4,9H2,1H3
InChIKeyZVPIUGNVEKSKNU-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.42
Rot. Bonds3

About (2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone

(2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone (PubChem CID 116554428) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is (2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
PubChem CID116554428
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name(2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
SMILESCOc1cccc(C(=O)c2ccc3c(c2)CCCN3)c1F
InChIInChI=1S/C17H16FNO2/c1-21-15-6-2-5-13(16(15)18)17(20)12-7-8-14-11(10-12)4-3-9-19-14/h2,5-8,10,19H,3-4,9H2,1H3
InChIKeyZVPIUGNVEKSKNU-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 116554328
1,2,3,4-tetrahydroquinolin-6-yl-(2,3,4-trifluorophenyl)methanone
CID 116554439
(5-chloro-2-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 116554437
N-(2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325547
2,3-dihydro-1H-indol-5-yl-(3,4-dimethoxyphenyl)methanone
CID 116554163
(4-amino-3-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 116582093
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
2,3-dihydro-1H-indol-5-yl-(2-propan-2-yloxyphenyl)methanone
CID 116554090
2,3-dihydro-1H-indol-5-yl-(2,3,4-trifluorophenyl)methanone
CID 116554224
2-(2,6-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 114935348
2,3-dihydro-1H-inden-5-yl-(2-methoxyphenyl)methanone
CID 43338938
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-indol-5-yl)methanone
CID 116554235

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone?
The IUPAC name of (2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone (CID 116554428) is (2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone.
What is the SMILES notation for (2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone?
The canonical SMILES for (2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone is COc1cccc(C(=O)c2ccc3c(c2)CCCN3)c1F.
What is the InChIKey of (2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone?
The InChIKey is ZVPIUGNVEKSKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-21-15-6-2-5-13(16(15)18)17(20)12-7-8-14-11(10-12)4-3-9-19-14/h2,5-8,10,19H,3-4,9H2,1H3.
What are the key properties of (2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone?
(2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone has a molecular weight of 285.32 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone is sourced from PubChem (CID 116554428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).