5,8-dimethoxy-1,4-dimethyl-6-(naphthalen-1-ylamino)quinolin-2-one

C23H22N2O3 — CID 57409692

IUPAC5,8-dimethoxy-1,4-dimethyl-6-(naphthalen-1-ylamino)quinolin-2-one
SMILESCOc1c(Nc2cccc3ccccc23)cc(OC)c2c1c(C)cc(=O)n2C
InChIInChI=1S/C23H22N2O3/c1-14-12-20(26)25(2)22-19(27-3)13-18(23(28-4)21(14)22)24-17-11-7-9-15-8-5-6-10-16(15)17/h5-13,24H,1-4H3
InChIKeyGVWZLACBWREPJT-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.76
Rot. Bonds4

About 5,8-dimethoxy-1,4-dimethyl-6-(naphthalen-1-ylamino)quinolin-2-one

5,8-dimethoxy-1,4-dimethyl-6-(naphthalen-1-ylamino)quinolin-2-one (PubChem CID 57409692) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5,8-dimethoxy-1,4-dimethyl-6-(naphthalen-1-ylamino)quinolin-2-one.

Molecular Properties

Compound Name5,8-dimethoxy-1,4-dimethyl-6-(naphthalen-1-ylamino)quinolin-2-one
PubChem CID57409692
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name5,8-dimethoxy-1,4-dimethyl-6-(naphthalen-1-ylamino)quinolin-2-one
SMILESCOc1c(Nc2cccc3ccccc23)cc(OC)c2c1c(C)cc(=O)n2C
InChIInChI=1S/C23H22N2O3/c1-14-12-20(26)25(2)22-19(27-3)13-18(23(28-4)21(14)22)24-17-11-7-9-15-8-5-6-10-16(15)17/h5-13,24H,1-4H3
InChIKeyGVWZLACBWREPJT-UHFFFAOYSA-N
XLogP4.76
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-1,4-dimethyl-6-(naphthalen-1-ylamino)quinolin-2-one?
The IUPAC name of 5,8-dimethoxy-1,4-dimethyl-6-(naphthalen-1-ylamino)quinolin-2-one (CID 57409692) is 5,8-dimethoxy-1,4-dimethyl-6-(naphthalen-1-ylamino)quinolin-2-one.
What is the SMILES notation for 5,8-dimethoxy-1,4-dimethyl-6-(naphthalen-1-ylamino)quinolin-2-one?
The canonical SMILES for 5,8-dimethoxy-1,4-dimethyl-6-(naphthalen-1-ylamino)quinolin-2-one is COc1c(Nc2cccc3ccccc23)cc(OC)c2c1c(C)cc(=O)n2C.
What is the InChIKey of 5,8-dimethoxy-1,4-dimethyl-6-(naphthalen-1-ylamino)quinolin-2-one?
The InChIKey is GVWZLACBWREPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-14-12-20(26)25(2)22-19(27-3)13-18(23(28-4)21(14)22)24-17-11-7-9-15-8-5-6-10-16(15)17/h5-13,24H,1-4H3.
What are the key properties of 5,8-dimethoxy-1,4-dimethyl-6-(naphthalen-1-ylamino)quinolin-2-one?
5,8-dimethoxy-1,4-dimethyl-6-(naphthalen-1-ylamino)quinolin-2-one has a molecular weight of 374.44 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-1,4-dimethyl-6-(naphthalen-1-ylamino)quinolin-2-one is sourced from PubChem (CID 57409692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).