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

C19H23N5O — CID 2907787

IUPAC2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
SMILESCN(C)N1C(N)=C(C#N)C(c2cccnc2)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C19H23N5O/c1-19(2)8-14-17(15(25)9-19)16(12-6-5-7-22-11-12)13(10-20)18(21)24(14)23(3)4/h5-7,11,16H,8-9,21H2,1-4H3
InChIKeyJSNSUHXPKBLWLK-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.29
Rot. Bonds2

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

2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile (PubChem CID 2907787) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
PubChem CID2907787
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
SMILESCN(C)N1C(N)=C(C#N)C(c2cccnc2)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C19H23N5O/c1-19(2)8-14-17(15(25)9-19)16(12-6-5-7-22-11-12)13(10-20)18(21)24(14)23(3)4/h5-7,11,16H,8-9,21H2,1-4H3
InChIKeyJSNSUHXPKBLWLK-UHFFFAOYSA-N
XLogP2.29
TPSA86.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile?
The IUPAC name of 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile (CID 2907787) is 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile is CN(C)N1C(N)=C(C#N)C(c2cccnc2)C2=C1CC(C)(C)CC2=O.
What is the InChIKey of 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile?
The InChIKey is JSNSUHXPKBLWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-19(2)8-14-17(15(25)9-19)16(12-6-5-7-22-11-12)13(10-20)18(21)24(14)23(3)4/h5-7,11,16H,8-9,21H2,1-4H3.
What are the key properties of 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile?
2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile has a molecular weight of 337.43 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile is sourced from PubChem (CID 2907787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).