3-[(Z)-1-amino-2-anilinoethenyl]-6,7-dimethoxy-1H-1,8-naphthyridin-2-one

C18H18N4O3 — CID 130244231

IUPAC3-[(Z)-1-amino-2-anilinoethenyl]-6,7-dimethoxy-1H-1,8-naphthyridin-2-one
SMILESCOc1cc2cc(/C(N)=C/Nc3ccccc3)c(=O)[nH]c2nc1OC
InChIInChI=1S/C18H18N4O3/c1-24-15-9-11-8-13(17(23)21-16(11)22-18(15)25-2)14(19)10-20-12-6-4-3-5-7-12/h3-10,20H,19H2,1-2H3,(H,21,22,23)/b14-10-
InChIKeyUDGRGUXKGBRNIU-UVTDQMKNSA-N
MW338.37 g/mol
LogP2.31
Rot. Bonds5

About 3-[(Z)-1-amino-2-anilinoethenyl]-6,7-dimethoxy-1H-1,8-naphthyridin-2-one

3-[(Z)-1-amino-2-anilinoethenyl]-6,7-dimethoxy-1H-1,8-naphthyridin-2-one (PubChem CID 130244231) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 3-[(Z)-1-amino-2-anilinoethenyl]-6,7-dimethoxy-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-[(Z)-1-amino-2-anilinoethenyl]-6,7-dimethoxy-1H-1,8-naphthyridin-2-one
PubChem CID130244231
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name3-[(Z)-1-amino-2-anilinoethenyl]-6,7-dimethoxy-1H-1,8-naphthyridin-2-one
SMILESCOc1cc2cc(/C(N)=C/Nc3ccccc3)c(=O)[nH]c2nc1OC
InChIInChI=1S/C18H18N4O3/c1-24-15-9-11-8-13(17(23)21-16(11)22-18(15)25-2)14(19)10-20-12-6-4-3-5-7-12/h3-10,20H,19H2,1-2H3,(H,21,22,23)/b14-10-
InChIKeyUDGRGUXKGBRNIU-UVTDQMKNSA-N
XLogP2.31
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1-amino-2-anilinoethenyl]-6,7-dimethoxy-1H-1,8-naphthyridin-2-one?
The IUPAC name of 3-[(Z)-1-amino-2-anilinoethenyl]-6,7-dimethoxy-1H-1,8-naphthyridin-2-one (CID 130244231) is 3-[(Z)-1-amino-2-anilinoethenyl]-6,7-dimethoxy-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-[(Z)-1-amino-2-anilinoethenyl]-6,7-dimethoxy-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 3-[(Z)-1-amino-2-anilinoethenyl]-6,7-dimethoxy-1H-1,8-naphthyridin-2-one is COc1cc2cc(/C(N)=C/Nc3ccccc3)c(=O)[nH]c2nc1OC.
What is the InChIKey of 3-[(Z)-1-amino-2-anilinoethenyl]-6,7-dimethoxy-1H-1,8-naphthyridin-2-one?
The InChIKey is UDGRGUXKGBRNIU-UVTDQMKNSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-24-15-9-11-8-13(17(23)21-16(11)22-18(15)25-2)14(19)10-20-12-6-4-3-5-7-12/h3-10,20H,19H2,1-2H3,(H,21,22,23)/b14-10-.
What are the key properties of 3-[(Z)-1-amino-2-anilinoethenyl]-6,7-dimethoxy-1H-1,8-naphthyridin-2-one?
3-[(Z)-1-amino-2-anilinoethenyl]-6,7-dimethoxy-1H-1,8-naphthyridin-2-one has a molecular weight of 338.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-1-amino-2-anilinoethenyl]-6,7-dimethoxy-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 130244231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).