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

C24H24N4O2 — CID 3245864

IUPAC2-amino-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
SMILESCOc1ccc(N2C(N)=C(C#N)C(c3cccnc3)C3=C2CC(C)(C)CC3=O)cc1
InChIInChI=1S/C24H24N4O2/c1-24(2)11-19-22(20(29)12-24)21(15-5-4-10-27-14-15)18(13-25)23(26)28(19)16-6-8-17(30-3)9-7-16/h4-10,14,21H,11-12,26H2,1-3H3
InChIKeyCAVDSXKTIHPTJI-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.03
Rot. Bonds3

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

2-amino-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile (PubChem CID 3245864) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-amino-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
PubChem CID3245864
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name2-amino-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
SMILESCOc1ccc(N2C(N)=C(C#N)C(c3cccnc3)C3=C2CC(C)(C)CC3=O)cc1
InChIInChI=1S/C24H24N4O2/c1-24(2)11-19-22(20(29)12-24)21(15-5-4-10-27-14-15)18(13-25)23(26)28(19)16-6-8-17(30-3)9-7-16/h4-10,14,21H,11-12,26H2,1-3H3
InChIKeyCAVDSXKTIHPTJI-UHFFFAOYSA-N
XLogP4.03
TPSA92.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile?
The IUPAC name of 2-amino-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile (CID 3245864) is 2-amino-1-(4-methoxyphenyl)-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-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile is COc1ccc(N2C(N)=C(C#N)C(c3cccnc3)C3=C2CC(C)(C)CC3=O)cc1.
What is the InChIKey of 2-amino-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile?
The InChIKey is CAVDSXKTIHPTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-24(2)11-19-22(20(29)12-24)21(15-5-4-10-27-14-15)18(13-25)23(26)28(19)16-6-8-17(30-3)9-7-16/h4-10,14,21H,11-12,26H2,1-3H3.
What are the key properties of 2-amino-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile?
2-amino-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile has a molecular weight of 400.48 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile is sourced from PubChem (CID 3245864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).