6-(3-amino-6-chloroquinolin-4-yl)-2,3-dimethoxyphenol

C17H15ClN2O3 — CID 135625379

IUPAC6-(3-amino-6-chloroquinolin-4-yl)-2,3-dimethoxyphenol
SMILESCOc1ccc(-c2c(N)cnc3ccc(Cl)cc23)c(O)c1OC
InChIInChI=1S/C17H15ClN2O3/c1-22-14-6-4-10(16(21)17(14)23-2)15-11-7-9(18)3-5-13(11)20-8-12(15)19/h3-8,21H,19H2,1-2H3
InChIKeyRMQYFUVZCRWQBO-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.86
Rot. Bonds3

About 6-(3-amino-6-chloroquinolin-4-yl)-2,3-dimethoxyphenol

6-(3-amino-6-chloroquinolin-4-yl)-2,3-dimethoxyphenol (PubChem CID 135625379) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 6-(3-amino-6-chloroquinolin-4-yl)-2,3-dimethoxyphenol.

Molecular Properties

Compound Name6-(3-amino-6-chloroquinolin-4-yl)-2,3-dimethoxyphenol
PubChem CID135625379
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name6-(3-amino-6-chloroquinolin-4-yl)-2,3-dimethoxyphenol
SMILESCOc1ccc(-c2c(N)cnc3ccc(Cl)cc23)c(O)c1OC
InChIInChI=1S/C17H15ClN2O3/c1-22-14-6-4-10(16(21)17(14)23-2)15-11-7-9(18)3-5-13(11)20-8-12(15)19/h3-8,21H,19H2,1-2H3
InChIKeyRMQYFUVZCRWQBO-UHFFFAOYSA-N
XLogP3.86
TPSA77.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-4-(2-fluorophenyl)quinolin-3-amine
CID 15035185
6-chloro-4-propan-2-ylquinolin-3-amine
CID 105476883
4-amino-6-chloro-N'-(2-methoxybenzoyl)quinoline-3-carbohydrazide
CID 39849255
5-chloro-2-methoxyaniline;hydron;chloride
CID 164511506
5-chloro-2-(2,3-dimethoxyphenyl)aniline
CID 82794309
2-(3-bromo-2,4-dimethoxyphenyl)-4-chloroaniline
CID 103523654
5-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19624547
2-(3-amino-6-bromoquinolin-4-yl)phenol
CID 174771858
4-N-(3-chloro-4-methoxyphenyl)quinoline-3,4-diamine
CID 103962773
5-chloro-1-(5-chloro-2-methoxyphenyl)-2,3-dimethoxybenzene
CID 143319889
5-chloro-2-(3,4-dimethoxyphenyl)aniline
CID 81274731
6-(4-chloro-2-methoxyphenyl)pyridin-3-ol
CID 53229509

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-6-chloroquinolin-4-yl)-2,3-dimethoxyphenol?
The IUPAC name of 6-(3-amino-6-chloroquinolin-4-yl)-2,3-dimethoxyphenol (CID 135625379) is 6-(3-amino-6-chloroquinolin-4-yl)-2,3-dimethoxyphenol.
What is the SMILES notation for 6-(3-amino-6-chloroquinolin-4-yl)-2,3-dimethoxyphenol?
The canonical SMILES for 6-(3-amino-6-chloroquinolin-4-yl)-2,3-dimethoxyphenol is COc1ccc(-c2c(N)cnc3ccc(Cl)cc23)c(O)c1OC.
What is the InChIKey of 6-(3-amino-6-chloroquinolin-4-yl)-2,3-dimethoxyphenol?
The InChIKey is RMQYFUVZCRWQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-22-14-6-4-10(16(21)17(14)23-2)15-11-7-9(18)3-5-13(11)20-8-12(15)19/h3-8,21H,19H2,1-2H3.
What are the key properties of 6-(3-amino-6-chloroquinolin-4-yl)-2,3-dimethoxyphenol?
6-(3-amino-6-chloroquinolin-4-yl)-2,3-dimethoxyphenol has a molecular weight of 330.77 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-6-chloroquinolin-4-yl)-2,3-dimethoxyphenol is sourced from PubChem (CID 135625379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).