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

C21H23N3O2 — CID 124625161

IUPAC(8S)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESO=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)[C@H]1CCCc2cccnc21
InChIInChI=1S/C21H23N3O2/c25-13-16(11-15-12-23-19-9-2-1-7-17(15)19)24-21(26)18-8-3-5-14-6-4-10-22-20(14)18/h1-2,4,6-7,9-10,12,16,18,23,25H,3,5,8,11,13H2,(H,24,26)/t16-,18+/m1/s1
InChIKeyYVLDHBUNDQJTOM-AEFFLSMTSA-N
MW349.43 g/mol
LogP2.70
Rot. Bonds5

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

(8S)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide (PubChem CID 124625161) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (8S)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound Name(8S)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
PubChem CID124625161
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(8S)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESO=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)[C@H]1CCCc2cccnc21
InChIInChI=1S/C21H23N3O2/c25-13-16(11-15-12-23-19-9-2-1-7-17(15)19)24-21(26)18-8-3-5-14-6-4-10-22-20(14)18/h1-2,4,6-7,9-10,12,16,18,23,25H,3,5,8,11,13H2,(H,24,26)/t16-,18+/m1/s1
InChIKeyYVLDHBUNDQJTOM-AEFFLSMTSA-N
XLogP2.70
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

(8S)-N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 100666599
N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide
CID 155961326
N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 75515213
2-benzyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 10716621
5-cyclohexyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide
CID 70753002
2-[2-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]acetic acid
CID 135337288
9H-fluoren-9-ylmethyl N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
CID 71024265
N-cyclobutyloxy-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 154862038
tert-butyl N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
CID 20744818
9H-fluoren-9-ylmethyl-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid
CID 129277382
2-(1H-indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
CID 46420164
N-[(2R)-1-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-methylpiperidine-4-carboxamide
CID 10229437

Frequently Asked Questions

What is the IUPAC name of (8S)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The IUPAC name of (8S)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide (CID 124625161) is (8S)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for (8S)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for (8S)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide is O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)[C@H]1CCCc2cccnc21.
What is the InChIKey of (8S)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The InChIKey is YVLDHBUNDQJTOM-AEFFLSMTSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-13-16(11-15-12-23-19-9-2-1-7-17(15)19)24-21(26)18-8-3-5-14-6-4-10-22-20(14)18/h1-2,4,6-7,9-10,12,16,18,23,25H,3,5,8,11,13H2,(H,24,26)/t16-,18+/m1/s1.
What are the key properties of (8S)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
(8S)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 124625161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).