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

C17H16ClNO2 — CID 116554437

IUPAC(5-chloro-2-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C17H16ClNO2/c1-21-16-7-5-13(18)10-14(16)17(20)12-4-6-15-11(9-12)3-2-8-19-15/h4-7,9-10,19H,2-3,8H2,1H3
InChIKeyBMZJNHZDDDVOOW-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.94
Rot. Bonds3

About (5-chloro-2-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone

(5-chloro-2-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone (PubChem CID 116554437) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
PubChem CID116554437
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name(5-chloro-2-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C17H16ClNO2/c1-21-16-7-5-13(18)10-14(16)17(20)12-4-6-15-11(9-12)3-2-8-19-15/h4-7,9-10,19H,2-3,8H2,1H3
InChIKeyBMZJNHZDDDVOOW-UHFFFAOYSA-N
XLogP3.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-chloro-2-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone with MolForge

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Related Compounds

(2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 116554428
2,3-dihydro-1H-indol-5-yl-(3,4-dimethoxyphenyl)methanone
CID 116554163
1,2,3,4-tetrahydroquinolin-6-yl-(2,3,4-trifluorophenyl)methanone
CID 116554439
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-indol-5-yl)methanone
CID 116554235
(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43161713
(5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 112694008
(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43339859
(2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 116554328
2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 116554419
2-(2,4-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 116554308
N-(2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325547
(5-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanone
CID 62077963

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone (CID 116554437) is (5-chloro-2-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone is COc1ccc(Cl)cc1C(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone?
The InChIKey is BMZJNHZDDDVOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-21-16-7-5-13(18)10-14(16)17(20)12-4-6-15-11(9-12)3-2-8-19-15/h4-7,9-10,19H,2-3,8H2,1H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone?
(5-chloro-2-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone has a molecular weight of 301.77 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone is sourced from PubChem (CID 116554437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).