4-[(8S)-2-amino-3-cyano-8-methyl-5,6,7,8-tetrahydroquinolin-4-yl]benzamide

C18H18N4O — CID 95524999

IUPAC4-[(8S)-2-amino-3-cyano-8-methyl-5,6,7,8-tetrahydroquinolin-4-yl]benzamide
SMILESC[C@H]1CCCc2c1nc(N)c(C#N)c2-c1ccc(C(N)=O)cc1
InChIInChI=1S/C18H18N4O/c1-10-3-2-4-13-15(14(9-19)17(20)22-16(10)13)11-5-7-12(8-6-11)18(21)23/h5-8,10H,2-4H2,1H3,(H2,20,22)(H2,21,23)/t10-/m0/s1
InChIKeyVJWRHWVQXGQRCT-JTQLQIEISA-N
MW306.37 g/mol
LogP2.74
Rot. Bonds2

About 4-[(8S)-2-amino-3-cyano-8-methyl-5,6,7,8-tetrahydroquinolin-4-yl]benzamide

4-[(8S)-2-amino-3-cyano-8-methyl-5,6,7,8-tetrahydroquinolin-4-yl]benzamide (PubChem CID 95524999) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-[(8S)-2-amino-3-cyano-8-methyl-5,6,7,8-tetrahydroquinolin-4-yl]benzamide.

Molecular Properties

Compound Name4-[(8S)-2-amino-3-cyano-8-methyl-5,6,7,8-tetrahydroquinolin-4-yl]benzamide
PubChem CID95524999
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name4-[(8S)-2-amino-3-cyano-8-methyl-5,6,7,8-tetrahydroquinolin-4-yl]benzamide
SMILESC[C@H]1CCCc2c1nc(N)c(C#N)c2-c1ccc(C(N)=O)cc1
InChIInChI=1S/C18H18N4O/c1-10-3-2-4-13-15(14(9-19)17(20)22-16(10)13)11-5-7-12(8-6-11)18(21)23/h5-8,10H,2-4H2,1H3,(H2,20,22)(H2,21,23)/t10-/m0/s1
InChIKeyVJWRHWVQXGQRCT-JTQLQIEISA-N
XLogP2.74
TPSA105.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(8S)-2-amino-3-cyano-8-methyl-5,6,7,8-tetrahydroquinolin-4-yl]benzamide with MolForge

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Related Compounds

(8R)-2-amino-4-(3,4-dimethoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 7114169
methyl 4-[(6R)-2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl]benzoate
CID 7731997
4-(2-amino-3-cyanospiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-4-yl)benzamide
CID 56861141
2-amino-4-(4-cyanophenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 5192069
(6S)-2-amino-4-(4-fluorophenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 728885
2-amino-4-(4-hydroxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 679342
2-amino-4-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 4636172
2-amino-4-(4-ethylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 4636171
4-[2-amino-3,5-dicyano-6-(2,3-dihydroxypropylsulfanyl)-4-pyridinyl]benzamide
CID 58740085
2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3116798
2-amino-4-(4-ethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 4636159
2-[3-[(6R)-2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl]phenoxy]acetamide
CID 95402496

Frequently Asked Questions

What is the IUPAC name of 4-[(8S)-2-amino-3-cyano-8-methyl-5,6,7,8-tetrahydroquinolin-4-yl]benzamide?
The IUPAC name of 4-[(8S)-2-amino-3-cyano-8-methyl-5,6,7,8-tetrahydroquinolin-4-yl]benzamide (CID 95524999) is 4-[(8S)-2-amino-3-cyano-8-methyl-5,6,7,8-tetrahydroquinolin-4-yl]benzamide.
What is the SMILES notation for 4-[(8S)-2-amino-3-cyano-8-methyl-5,6,7,8-tetrahydroquinolin-4-yl]benzamide?
The canonical SMILES for 4-[(8S)-2-amino-3-cyano-8-methyl-5,6,7,8-tetrahydroquinolin-4-yl]benzamide is C[C@H]1CCCc2c1nc(N)c(C#N)c2-c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(8S)-2-amino-3-cyano-8-methyl-5,6,7,8-tetrahydroquinolin-4-yl]benzamide?
The InChIKey is VJWRHWVQXGQRCT-JTQLQIEISA-N. The full InChI is InChI=1S/C18H18N4O/c1-10-3-2-4-13-15(14(9-19)17(20)22-16(10)13)11-5-7-12(8-6-11)18(21)23/h5-8,10H,2-4H2,1H3,(H2,20,22)(H2,21,23)/t10-/m0/s1.
What are the key properties of 4-[(8S)-2-amino-3-cyano-8-methyl-5,6,7,8-tetrahydroquinolin-4-yl]benzamide?
4-[(8S)-2-amino-3-cyano-8-methyl-5,6,7,8-tetrahydroquinolin-4-yl]benzamide has a molecular weight of 306.37 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8S)-2-amino-3-cyano-8-methyl-5,6,7,8-tetrahydroquinolin-4-yl]benzamide is sourced from PubChem (CID 95524999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).