4-[[7-[(1S)-1-aminoethyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-1-yl]methyl]pyridine-2-carbonitrile

C22H28N4 — CID 124674510

IUPAC4-[[7-[(1S)-1-aminoethyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-1-yl]methyl]pyridine-2-carbonitrile
SMILESCCc1cc2c(cc1[C@H](C)N)N(Cc1ccnc(C#N)c1)CCC2(C)C
InChIInChI=1S/C22H28N4/c1-5-17-11-20-21(12-19(17)15(2)24)26(9-7-22(20,3)4)14-16-6-8-25-18(10-16)13-23/h6,8,10-12,15H,5,7,9,14,24H2,1-4H3/t15-/m0/s1
InChIKeyRMHVPMNGJQXLHT-HNNXBMFYSA-N
MW348.49 g/mol
LogP4.22
Rot. Bonds4

About 4-[[7-[(1S)-1-aminoethyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-1-yl]methyl]pyridine-2-carbonitrile

4-[[7-[(1S)-1-aminoethyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-1-yl]methyl]pyridine-2-carbonitrile (PubChem CID 124674510) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-[[7-[(1S)-1-aminoethyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-1-yl]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[7-[(1S)-1-aminoethyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-1-yl]methyl]pyridine-2-carbonitrile
PubChem CID124674510
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC Name4-[[7-[(1S)-1-aminoethyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-1-yl]methyl]pyridine-2-carbonitrile
SMILESCCc1cc2c(cc1[C@H](C)N)N(Cc1ccnc(C#N)c1)CCC2(C)C
InChIInChI=1S/C22H28N4/c1-5-17-11-20-21(12-19(17)15(2)24)26(9-7-22(20,3)4)14-16-6-8-25-18(10-16)13-23/h6,8,10-12,15H,5,7,9,14,24H2,1-4H3/t15-/m0/s1
InChIKeyRMHVPMNGJQXLHT-HNNXBMFYSA-N
XLogP4.22
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-[(1S)-1-aminoethyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-1-yl]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[7-[(1S)-1-aminoethyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-1-yl]methyl]pyridine-2-carbonitrile (CID 124674510) is 4-[[7-[(1S)-1-aminoethyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-1-yl]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[7-[(1S)-1-aminoethyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-1-yl]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[7-[(1S)-1-aminoethyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-1-yl]methyl]pyridine-2-carbonitrile is CCc1cc2c(cc1[C@H](C)N)N(Cc1ccnc(C#N)c1)CCC2(C)C.
What is the InChIKey of 4-[[7-[(1S)-1-aminoethyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-1-yl]methyl]pyridine-2-carbonitrile?
The InChIKey is RMHVPMNGJQXLHT-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H28N4/c1-5-17-11-20-21(12-19(17)15(2)24)26(9-7-22(20,3)4)14-16-6-8-25-18(10-16)13-23/h6,8,10-12,15H,5,7,9,14,24H2,1-4H3/t15-/m0/s1.
What are the key properties of 4-[[7-[(1S)-1-aminoethyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-1-yl]methyl]pyridine-2-carbonitrile?
4-[[7-[(1S)-1-aminoethyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-1-yl]methyl]pyridine-2-carbonitrile has a molecular weight of 348.49 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-[(1S)-1-aminoethyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-1-yl]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 124674510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).