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

C24H24N4O2 — CID 3426651

IUPAC2-amino-4-(2-methoxyphenyl)-7,7-dimethyl-5-oxo-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
SMILESCOc1ccccc1C1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C24H24N4O2/c1-24(2)11-18-22(19(29)12-24)21(16-8-4-5-9-20(16)30-3)17(13-25)23(26)28(18)15-7-6-10-27-14-15/h4-10,14,21H,11-12,26H2,1-3H3
InChIKeyHSGKSHNJOJLCLM-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.03
Rot. Bonds3

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

2-amino-4-(2-methoxyphenyl)-7,7-dimethyl-5-oxo-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile (PubChem CID 3426651) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-amino-4-(2-methoxyphenyl)-7,7-dimethyl-5-oxo-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-methoxyphenyl)-7,7-dimethyl-5-oxo-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
PubChem CID3426651
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name2-amino-4-(2-methoxyphenyl)-7,7-dimethyl-5-oxo-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
SMILESCOc1ccccc1C1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C24H24N4O2/c1-24(2)11-18-22(19(29)12-24)21(16-8-4-5-9-20(16)30-3)17(13-25)23(26)28(18)15-7-6-10-27-14-15/h4-10,14,21H,11-12,26H2,1-3H3
InChIKeyHSGKSHNJOJLCLM-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-4-(2-methoxyphenyl)-7,7-dimethyl-5-oxo-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-methoxyphenyl)-7,7-dimethyl-5-oxo-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile (CID 3426651) is 2-amino-4-(2-methoxyphenyl)-7,7-dimethyl-5-oxo-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-methoxyphenyl)-7,7-dimethyl-5-oxo-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-methoxyphenyl)-7,7-dimethyl-5-oxo-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile is COc1ccccc1C1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CC(C)(C)C2.
What is the InChIKey of 2-amino-4-(2-methoxyphenyl)-7,7-dimethyl-5-oxo-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile?
The InChIKey is HSGKSHNJOJLCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-24(2)11-18-22(19(29)12-24)21(16-8-4-5-9-20(16)30-3)17(13-25)23(26)28(18)15-7-6-10-27-14-15/h4-10,14,21H,11-12,26H2,1-3H3.
What are the key properties of 2-amino-4-(2-methoxyphenyl)-7,7-dimethyl-5-oxo-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile?
2-amino-4-(2-methoxyphenyl)-7,7-dimethyl-5-oxo-1-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-4-(2-methoxyphenyl)-7,7-dimethyl-5-oxo-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile is sourced from PubChem (CID 3426651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).