1-[2-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]ethanone

C19H18N2O3 — CID 53264744

IUPAC1-[2-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]ethanone
SMILESCOc1cc2nccc(Nc3ccccc3C(C)=O)c2cc1OC
InChIInChI=1S/C19H18N2O3/c1-12(22)13-6-4-5-7-15(13)21-16-8-9-20-17-11-19(24-3)18(23-2)10-14(16)17/h4-11H,1-3H3,(H,20,21)
InChIKeyRQUYBYYWEGZKIR-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.20
Rot. Bonds5

About 1-[2-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]ethanone

1-[2-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]ethanone (PubChem CID 53264744) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-[2-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]ethanone
PubChem CID53264744
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name1-[2-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]ethanone
SMILESCOc1cc2nccc(Nc3ccccc3C(C)=O)c2cc1OC
InChIInChI=1S/C19H18N2O3/c1-12(22)13-6-4-5-7-15(13)21-16-8-9-20-17-11-19(24-3)18(23-2)10-14(16)17/h4-11H,1-3H3,(H,20,21)
InChIKeyRQUYBYYWEGZKIR-UHFFFAOYSA-N
XLogP4.20
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(6-fluoroquinolin-4-yl)amino]phenyl]ethanone
CID 39850737
N-(4-chloro-2,5-dimethoxyphenyl)-6,7-dimethoxyquinolin-4-amine
CID 53264749
N-(1H-indol-4-yl)-6,7-dimethoxyquinolin-4-amine
CID 139921584
N-(2-acetylphenyl)-3,4-dimethoxybenzamide
CID 17394178
6,7-dimethoxy-N-methylquinolin-4-amine
CID 62190466
methyl 6,7-dimethoxyquinoline-4-carboxylate
CID 59756874
3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride
CID 22646651
N-[4-[[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenoxy]methyl]phenyl]acetamide
CID 44532199
6,7-dimethoxy-N-(3-methoxyphenyl)quinolin-4-amine
CID 53264717
6,7-dimethoxy-N-(4-naphthalen-2-yloxyphenyl)quinolin-4-amine
CID 166515203
1-[2-[(8-chloroquinolin-4-yl)amino]phenyl]ethanone
CID 43832784
N-[5-[(6,7-dimethoxyquinolin-4-yl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide
CID 22732263

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[2-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]ethanone (CID 53264744) is 1-[2-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[2-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]ethanone is COc1cc2nccc(Nc3ccccc3C(C)=O)c2cc1OC.
What is the InChIKey of 1-[2-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]ethanone?
The InChIKey is RQUYBYYWEGZKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12(22)13-6-4-5-7-15(13)21-16-8-9-20-17-11-19(24-3)18(23-2)10-14(16)17/h4-11H,1-3H3,(H,20,21).
What are the key properties of 1-[2-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]ethanone?
1-[2-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]ethanone has a molecular weight of 322.36 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]ethanone is sourced from PubChem (CID 53264744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).