(8S)-N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide

C20H24N2O2 — CID 100666599

IUPAC(8S)-N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESCc1ccccc1C[C@H](CO)NC(=O)[C@H]1CCCc2cccnc21
InChIInChI=1S/C20H24N2O2/c1-14-6-2-3-7-16(14)12-17(13-23)22-20(24)18-10-4-8-15-9-5-11-21-19(15)18/h2-3,5-7,9,11,17-18,23H,4,8,10,12-13H2,1H3,(H,22,24)/t17-,18+/m1/s1
InChIKeyHJSATEPIBSPVAP-MSOLQXFVSA-N
MW324.42 g/mol
LogP2.53
Rot. Bonds5

About (8S)-N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide

(8S)-N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide (PubChem CID 100666599) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (8S)-N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound Name(8S)-N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
PubChem CID100666599
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(8S)-N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESCc1ccccc1C[C@H](CO)NC(=O)[C@H]1CCCc2cccnc21
InChIInChI=1S/C20H24N2O2/c1-14-6-2-3-7-16(14)12-17(13-23)22-20(24)18-10-4-8-15-9-5-11-21-19(15)18/h2-3,5-7,9,11,17-18,23H,4,8,10,12-13H2,1H3,(H,22,24)/t17-,18+/m1/s1
InChIKeyHJSATEPIBSPVAP-MSOLQXFVSA-N
XLogP2.53
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (8S)-N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide with MolForge

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Related Compounds

(8S)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 124625161
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
3-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116612266
N-cyclobutyloxy-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 154862038
(2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 105114230
2-methylsulfonyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 115782115
4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116555632
(5-methylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782072
2-(3-methylphenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79745952
(8R)-N-[(2R)-2-cyano-3,3-dimethylbutan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 124851984
2-pyridin-4-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79746027
3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 79745653

Frequently Asked Questions

What is the IUPAC name of (8S)-N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The IUPAC name of (8S)-N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide (CID 100666599) is (8S)-N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for (8S)-N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for (8S)-N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide is Cc1ccccc1C[C@H](CO)NC(=O)[C@H]1CCCc2cccnc21.
What is the InChIKey of (8S)-N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The InChIKey is HJSATEPIBSPVAP-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-6-2-3-7-16(14)12-17(13-23)22-20(24)18-10-4-8-15-9-5-11-21-19(15)18/h2-3,5-7,9,11,17-18,23H,4,8,10,12-13H2,1H3,(H,22,24)/t17-,18+/m1/s1.
What are the key properties of (8S)-N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
(8S)-N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 100666599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).