2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-pyridin-4-yl-6,8-dihydro-4H-quinoline-3-carbonitrile

C21H25N5O2 — CID 23973124

IUPAC2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-pyridin-4-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
SMILESCC1(C)CC(=O)C2=C(C1)N(N1CCOCC1)C(N)=C(C#N)C2c1ccncc1
InChIInChI=1S/C21H25N5O2/c1-21(2)11-16-19(17(27)12-21)18(14-3-5-24-6-4-14)15(13-22)20(23)26(16)25-7-9-28-10-8-25/h3-6,18H,7-12,23H2,1-2H3
InChIKeyHUBRYFQJGAIGAP-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.07
Rot. Bonds2

About 2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-pyridin-4-yl-6,8-dihydro-4H-quinoline-3-carbonitrile

2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-pyridin-4-yl-6,8-dihydro-4H-quinoline-3-carbonitrile (PubChem CID 23973124) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-pyridin-4-yl-6,8-dihydro-4H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-pyridin-4-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
PubChem CID23973124
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-pyridin-4-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
SMILESCC1(C)CC(=O)C2=C(C1)N(N1CCOCC1)C(N)=C(C#N)C2c1ccncc1
InChIInChI=1S/C21H25N5O2/c1-21(2)11-16-19(17(27)12-21)18(14-3-5-24-6-4-14)15(13-22)20(23)26(16)25-7-9-28-10-8-25/h3-6,18H,7-12,23H2,1-2H3
InChIKeyHUBRYFQJGAIGAP-UHFFFAOYSA-N
XLogP2.07
TPSA95.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-pyridin-4-yl-6,8-dihydro-4H-quinoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-pyridin-4-yl-6,8-dihydro-4H-quinoline-3-carbonitrile?
The IUPAC name of 2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-pyridin-4-yl-6,8-dihydro-4H-quinoline-3-carbonitrile (CID 23973124) is 2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-pyridin-4-yl-6,8-dihydro-4H-quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-pyridin-4-yl-6,8-dihydro-4H-quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-pyridin-4-yl-6,8-dihydro-4H-quinoline-3-carbonitrile is CC1(C)CC(=O)C2=C(C1)N(N1CCOCC1)C(N)=C(C#N)C2c1ccncc1.
What is the InChIKey of 2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-pyridin-4-yl-6,8-dihydro-4H-quinoline-3-carbonitrile?
The InChIKey is HUBRYFQJGAIGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-21(2)11-16-19(17(27)12-21)18(14-3-5-24-6-4-14)15(13-22)20(23)26(16)25-7-9-28-10-8-25/h3-6,18H,7-12,23H2,1-2H3.
What are the key properties of 2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-pyridin-4-yl-6,8-dihydro-4H-quinoline-3-carbonitrile?
2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-pyridin-4-yl-6,8-dihydro-4H-quinoline-3-carbonitrile has a molecular weight of 379.46 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-pyridin-4-yl-6,8-dihydro-4H-quinoline-3-carbonitrile is sourced from PubChem (CID 23973124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).