propan-2-yl 5-cyano-4-(3-ethylquinolin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate

C23H25N3O2 — CID 71467161

IUPACpropan-2-yl 5-cyano-4-(3-ethylquinolin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
SMILESCCc1cnc2cccc(C3C(C#N)=C(C)NC(C)=C3C(=O)OC(C)C)c2c1
InChIInChI=1S/C23H25N3O2/c1-6-16-10-18-17(8-7-9-20(18)25-12-16)22-19(11-24)14(4)26-15(5)21(22)23(27)28-13(2)3/h7-10,12-13,22,26H,6H2,1-5H3
InChIKeyVOEYZQBGJPXFOP-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.51
Rot. Bonds4

About propan-2-yl 5-cyano-4-(3-ethylquinolin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate

propan-2-yl 5-cyano-4-(3-ethylquinolin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate (PubChem CID 71467161) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is propan-2-yl 5-cyano-4-(3-ethylquinolin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-cyano-4-(3-ethylquinolin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
PubChem CID71467161
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Namepropan-2-yl 5-cyano-4-(3-ethylquinolin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
SMILESCCc1cnc2cccc(C3C(C#N)=C(C)NC(C)=C3C(=O)OC(C)C)c2c1
InChIInChI=1S/C23H25N3O2/c1-6-16-10-18-17(8-7-9-20(18)25-12-16)22-19(11-24)14(4)26-15(5)21(22)23(27)28-13(2)3/h7-10,12-13,22,26H,6H2,1-5H3
InChIKeyVOEYZQBGJPXFOP-UHFFFAOYSA-N
XLogP4.51
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 5-cyano-4-(3-ethylquinolin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate with MolForge

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Related Compounds

CID 46237979
CID 46237979
CID 46237980
CID 46237980
Ethyl 5-cyano-6-methyl-2-propyl-4-quinolin-4-yl-1,4-dihydropyridine-3-carboxylate
CID 46237981
ethyl (4R)-5-cyano-6-methyl-2-propyl-4-quinolin-4-yl-1,4-dihydropyridine-3-carboxylate
CID 46237983
CID 46238115
CID 46238115
ethyl (4S)-5-cyano-2,6-dimethyl-4-(4-naphthalen-1-yl-3-pyridinyl)-1,4-dihydropyridine-3-carboxylate
CID 44318895
ethyl (4S)-5-cyano-2,6-dimethyl-4-(4-naphthalen-2-yl-3-pyridinyl)-1,4-dihydropyridine-3-carboxylate
CID 44318909
3-Pyridinecarboxylic acid, 2-amino-5-cyano-1,4-dihydro-6-methyl-4-(3-phenyl-5-quinolinyl)-, 1-methylethyl ester, (4R)-
CID 9910240
ethyl (4S)-5-cyano-6-methyl-2-propyl-4-quinolin-4-yl-1,4-dihydropyridine-3-carboxylate
CID 46237982
CID 46238113
CID 46238113
(5aS,7S)-3-methyl-7-[1-(quinolin-4-ylmethylamino)propan-2-yl]-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one
CID 66560837
(5aS,7S)-3-methyl-7-[1-[(6-methylquinolin-4-yl)methylamino]propan-2-yl]-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one
CID 66560838

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-cyano-4-(3-ethylquinolin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate?
The IUPAC name of propan-2-yl 5-cyano-4-(3-ethylquinolin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate (CID 71467161) is propan-2-yl 5-cyano-4-(3-ethylquinolin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 5-cyano-4-(3-ethylquinolin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 5-cyano-4-(3-ethylquinolin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate is CCc1cnc2cccc(C3C(C#N)=C(C)NC(C)=C3C(=O)OC(C)C)c2c1.
What is the InChIKey of propan-2-yl 5-cyano-4-(3-ethylquinolin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate?
The InChIKey is VOEYZQBGJPXFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-6-16-10-18-17(8-7-9-20(18)25-12-16)22-19(11-24)14(4)26-15(5)21(22)23(27)28-13(2)3/h7-10,12-13,22,26H,6H2,1-5H3.
What are the key properties of propan-2-yl 5-cyano-4-(3-ethylquinolin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate?
propan-2-yl 5-cyano-4-(3-ethylquinolin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate has a molecular weight of 375.47 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-cyano-4-(3-ethylquinolin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate is sourced from PubChem (CID 71467161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).