4-[2-(3,4-dimethoxyphenyl)ethylamino]-7,8-dimethoxy-1H-quinolin-2-one

C21H24N2O5 — CID 155920037

IUPAC4-[2-(3,4-dimethoxyphenyl)ethylamino]-7,8-dimethoxy-1H-quinolin-2-one
SMILESCOc1ccc(CCNc2cc(=O)[nH]c3c(OC)c(OC)ccc23)cc1OC
InChIInChI=1S/C21H24N2O5/c1-25-16-7-5-13(11-18(16)27-3)9-10-22-15-12-19(24)23-20-14(15)6-8-17(26-2)21(20)28-4/h5-8,11-12H,9-10H2,1-4H3,(H2,22,23,24)
InChIKeyDTCOKNWRNFBFAZ-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.22
Rot. Bonds8

About 4-[2-(3,4-dimethoxyphenyl)ethylamino]-7,8-dimethoxy-1H-quinolin-2-one

4-[2-(3,4-dimethoxyphenyl)ethylamino]-7,8-dimethoxy-1H-quinolin-2-one (PubChem CID 155920037) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 4-[2-(3,4-dimethoxyphenyl)ethylamino]-7,8-dimethoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[2-(3,4-dimethoxyphenyl)ethylamino]-7,8-dimethoxy-1H-quinolin-2-one
PubChem CID155920037
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name4-[2-(3,4-dimethoxyphenyl)ethylamino]-7,8-dimethoxy-1H-quinolin-2-one
SMILESCOc1ccc(CCNc2cc(=O)[nH]c3c(OC)c(OC)ccc23)cc1OC
InChIInChI=1S/C21H24N2O5/c1-25-16-7-5-13(11-18(16)27-3)9-10-22-15-12-19(24)23-20-14(15)6-8-17(26-2)21(20)28-4/h5-8,11-12H,9-10H2,1-4H3,(H2,22,23,24)
InChIKeyDTCOKNWRNFBFAZ-UHFFFAOYSA-N
XLogP3.22
TPSA81.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-hydroxy-1H-pyrimidin-6-one
CID 2727844
4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136955931
2-(3,4-dimethoxyphenyl)ethylhydrazine
CID 18070259
4,6-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazin-2-amine
CID 46179762
4-chloro-2-N-[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,2-diamine
CID 115468478
6-[2-(3,4-dimethoxyphenyl)ethylamino]-9-methyl-7H-purin-8-one
CID 163344791
3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one
CID 135511625
N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]acetamide
CID 112984068
2-[2-(3,4-dimethoxyphenyl)ethylamino]propane-2-thiol
CID 145473634
7-[2-(3,4-dimethoxyphenyl)ethylamino]-6-nitro-3H-quinazolin-4-one
CID 137289182
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
CID 110701203
2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135612119

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethoxyphenyl)ethylamino]-7,8-dimethoxy-1H-quinolin-2-one?
The IUPAC name of 4-[2-(3,4-dimethoxyphenyl)ethylamino]-7,8-dimethoxy-1H-quinolin-2-one (CID 155920037) is 4-[2-(3,4-dimethoxyphenyl)ethylamino]-7,8-dimethoxy-1H-quinolin-2-one.
What is the SMILES notation for 4-[2-(3,4-dimethoxyphenyl)ethylamino]-7,8-dimethoxy-1H-quinolin-2-one?
The canonical SMILES for 4-[2-(3,4-dimethoxyphenyl)ethylamino]-7,8-dimethoxy-1H-quinolin-2-one is COc1ccc(CCNc2cc(=O)[nH]c3c(OC)c(OC)ccc23)cc1OC.
What is the InChIKey of 4-[2-(3,4-dimethoxyphenyl)ethylamino]-7,8-dimethoxy-1H-quinolin-2-one?
The InChIKey is DTCOKNWRNFBFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-25-16-7-5-13(11-18(16)27-3)9-10-22-15-12-19(24)23-20-14(15)6-8-17(26-2)21(20)28-4/h5-8,11-12H,9-10H2,1-4H3,(H2,22,23,24).
What are the key properties of 4-[2-(3,4-dimethoxyphenyl)ethylamino]-7,8-dimethoxy-1H-quinolin-2-one?
4-[2-(3,4-dimethoxyphenyl)ethylamino]-7,8-dimethoxy-1H-quinolin-2-one has a molecular weight of 384.43 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethoxyphenyl)ethylamino]-7,8-dimethoxy-1H-quinolin-2-one is sourced from PubChem (CID 155920037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).