(6-chloro-7-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)methanol

C12H16ClNO2 — CID 177336713

IUPAC(6-chloro-7-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)methanol
SMILESCOc1c(Cl)cc2c(c1CO)N(C)CCC2
InChIInChI=1S/C12H16ClNO2/c1-14-5-3-4-8-6-10(13)12(16-2)9(7-15)11(8)14/h6,15H,3-5,7H2,1-2H3
InChIKeyCCEOSNSZHAXZNR-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.22
Rot. Bonds2

About (6-chloro-7-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)methanol

(6-chloro-7-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)methanol (PubChem CID 177336713) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is (6-chloro-7-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)methanol.

Molecular Properties

Compound Name(6-chloro-7-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)methanol
PubChem CID177336713
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name(6-chloro-7-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)methanol
SMILESCOc1c(Cl)cc2c(c1CO)N(C)CCC2
InChIInChI=1S/C12H16ClNO2/c1-14-5-3-4-8-6-10(13)12(16-2)9(7-15)11(8)14/h6,15H,3-5,7H2,1-2H3
InChIKeyCCEOSNSZHAXZNR-UHFFFAOYSA-N
XLogP2.22
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline
CID 58331978
6-chloro-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-8-carboxylic acid;hydrochloride
CID 171787810
1-[2-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]piperazine
CID 117493733
(2,4,6-trichloro-3-methoxyphenyl)methanol
CID 164891467
1-[(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]piperazine
CID 117475519
1-[(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]cyclopropan-1-ol
CID 117420830
1-[(2-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methyl]cyclopropan-1-ol
CID 117450858
10-ethyl-1-methyl-3,4-dihydro-2H-benzo[g]quinoline
CID 166491582
3-(2-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)propanoic acid
CID 117454477
6-chloro-5-methoxy-2,3-dihydro-1H-indene-4-carboxylic acid
CID 171787802
2-amino-2-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethanol
CID 117392843
7-chloro-8-ethenyl-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 177159993

Frequently Asked Questions

What is the IUPAC name of (6-chloro-7-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)methanol?
The IUPAC name of (6-chloro-7-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)methanol (CID 177336713) is (6-chloro-7-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)methanol.
What is the SMILES notation for (6-chloro-7-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)methanol?
The canonical SMILES for (6-chloro-7-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)methanol is COc1c(Cl)cc2c(c1CO)N(C)CCC2.
What is the InChIKey of (6-chloro-7-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)methanol?
The InChIKey is CCEOSNSZHAXZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-14-5-3-4-8-6-10(13)12(16-2)9(7-15)11(8)14/h6,15H,3-5,7H2,1-2H3.
What are the key properties of (6-chloro-7-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)methanol?
(6-chloro-7-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)methanol has a molecular weight of 241.72 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-7-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)methanol is sourced from PubChem (CID 177336713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).