3-[(Z)-1-amino-2-[4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-1,7-naphthyridin-2-one

C21H21N5O3 — CID 130243340

IUPAC3-[(Z)-1-amino-2-[4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-1,7-naphthyridin-2-one
SMILESN/C(=C\Nc1ccc(C(=O)N2CCOCC2)cc1)c1cc2ccncc2[nH]c1=O
InChIInChI=1S/C21H21N5O3/c22-18(17-11-15-5-6-23-13-19(15)25-20(17)27)12-24-16-3-1-14(2-4-16)21(28)26-7-9-29-10-8-26/h1-6,11-13,24H,7-10,22H2,(H,25,27)/b18-12-
InChIKeyZIJCRCLLYYYAAL-PDGQHHTCSA-N
MW391.43 g/mol
LogP1.76
Rot. Bonds4

About 3-[(Z)-1-amino-2-[4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-1,7-naphthyridin-2-one

3-[(Z)-1-amino-2-[4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-1,7-naphthyridin-2-one (PubChem CID 130243340) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 3-[(Z)-1-amino-2-[4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name3-[(Z)-1-amino-2-[4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-1,7-naphthyridin-2-one
PubChem CID130243340
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name3-[(Z)-1-amino-2-[4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-1,7-naphthyridin-2-one
SMILESN/C(=C\Nc1ccc(C(=O)N2CCOCC2)cc1)c1cc2ccncc2[nH]c1=O
InChIInChI=1S/C21H21N5O3/c22-18(17-11-15-5-6-23-13-19(15)25-20(17)27)12-24-16-3-1-14(2-4-16)21(28)26-7-9-29-10-8-26/h1-6,11-13,24H,7-10,22H2,(H,25,27)/b18-12-
InChIKeyZIJCRCLLYYYAAL-PDGQHHTCSA-N
XLogP1.76
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[(Z)-1-amino-2-[4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-1,7-naphthyridin-2-one with MolForge

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Related Compounds

3-[(Z)-1-amino-2-[3-fluoro-4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-quinolin-2-one
CID 130244615
3-(3-chloro-4-pyridinyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
CID 66605501
6-(2-methoxyethoxy)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide
CID 172574365
2-[3-fluoro-5-(morpholine-4-carbonyl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137002066
ethane;6-(2-methoxyethoxy)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide;prop-1-ene
CID 172574364
3-[4-(morpholine-4-carbonyl)anilino]pyrazine-2-carboxamide
CID 144857846
2-[4-[2-[4-(morpholine-4-carbonyl)phenyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide
CID 90304471
morpholin-4-yl-[4-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]methanone
CID 117078709
[[4-(morpholine-4-carbonyl)phenyl]methylideneamino]urea
CID 168533261
4-methyl-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]pyridine-3-carboxamide
CID 136527988
[6-(3,5-dichloroanilino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 109153503
1-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]propan-2-one
CID 135163730

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1-amino-2-[4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-1,7-naphthyridin-2-one?
The IUPAC name of 3-[(Z)-1-amino-2-[4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-1,7-naphthyridin-2-one (CID 130243340) is 3-[(Z)-1-amino-2-[4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 3-[(Z)-1-amino-2-[4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 3-[(Z)-1-amino-2-[4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-1,7-naphthyridin-2-one is N/C(=C\Nc1ccc(C(=O)N2CCOCC2)cc1)c1cc2ccncc2[nH]c1=O.
What is the InChIKey of 3-[(Z)-1-amino-2-[4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-1,7-naphthyridin-2-one?
The InChIKey is ZIJCRCLLYYYAAL-PDGQHHTCSA-N. The full InChI is InChI=1S/C21H21N5O3/c22-18(17-11-15-5-6-23-13-19(15)25-20(17)27)12-24-16-3-1-14(2-4-16)21(28)26-7-9-29-10-8-26/h1-6,11-13,24H,7-10,22H2,(H,25,27)/b18-12-.
What are the key properties of 3-[(Z)-1-amino-2-[4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-1,7-naphthyridin-2-one?
3-[(Z)-1-amino-2-[4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-1,7-naphthyridin-2-one has a molecular weight of 391.43 g/mol, XLogP of 1.76, 4 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-[4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 130243340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).