(5R,6R)-5-hydroxy-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-2-carboxamide

C20H18N4O2 — CID 129283125

IUPAC(5R,6R)-5-hydroxy-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-2-carboxamide
SMILESNC(=O)c1ccc2c(n1)CC[C@H]([C@@H]1c3ccccc3-c3cncn31)[C@H]2O
InChIInChI=1S/C20H18N4O2/c21-20(26)16-8-5-13-15(23-16)7-6-14(19(13)25)18-12-4-2-1-3-11(12)17-9-22-10-24(17)18/h1-5,8-10,14,18-19,25H,6-7H2,(H2,21,26)/t14-,18+,19+/m1/s1
InChIKeySXZOFGHZTUIZCQ-CCKFTAQKSA-N
MW346.39 g/mol
LogP2.24
Rot. Bonds2

About (5R,6R)-5-hydroxy-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-2-carboxamide

(5R,6R)-5-hydroxy-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-2-carboxamide (PubChem CID 129283125) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is (5R,6R)-5-hydroxy-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-2-carboxamide.

Molecular Properties

Compound Name(5R,6R)-5-hydroxy-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-2-carboxamide
PubChem CID129283125
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name(5R,6R)-5-hydroxy-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-2-carboxamide
SMILESNC(=O)c1ccc2c(n1)CC[C@H]([C@@H]1c3ccccc3-c3cncn31)[C@H]2O
InChIInChI=1S/C20H18N4O2/c21-20(26)16-8-5-13-15(23-16)7-6-14(19(13)25)18-12-4-2-1-3-11(12)17-9-22-10-24(17)18/h1-5,8-10,14,18-19,25H,6-7H2,(H2,21,26)/t14-,18+,19+/m1/s1
InChIKeySXZOFGHZTUIZCQ-CCKFTAQKSA-N
XLogP2.24
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5R,6R)-5-hydroxy-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S,6S)-2-amino-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinazolin-5-ol
CID 129282996
5-hydroxy-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 175796673
(8S)-8-hydroxy-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 175796747
6-(5H-imidazo[5,1-a]isoindol-5-yl)-5-oxo-7,8-dihydro-6H-quinoline-2-carboxamide
CID 129296330
(7S,8R)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 129283109
(1S,2S)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 129282975
6-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 129296378
(5R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinoxalin-5-ol
CID 129296075
(5S,6S)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroisoquinolin-5-ol
CID 129296383
(5S,6R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-5-ol
CID 137405791
(7S,8R)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroisoquinolin-8-ol
CID 129283762
(5S,6S)-5-hydroxy-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 129283232

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5-hydroxy-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-2-carboxamide?
The IUPAC name of (5R,6R)-5-hydroxy-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-2-carboxamide (CID 129283125) is (5R,6R)-5-hydroxy-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-2-carboxamide.
What is the SMILES notation for (5R,6R)-5-hydroxy-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-2-carboxamide?
The canonical SMILES for (5R,6R)-5-hydroxy-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-2-carboxamide is NC(=O)c1ccc2c(n1)CC[C@H]([C@@H]1c3ccccc3-c3cncn31)[C@H]2O.
What is the InChIKey of (5R,6R)-5-hydroxy-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-2-carboxamide?
The InChIKey is SXZOFGHZTUIZCQ-CCKFTAQKSA-N. The full InChI is InChI=1S/C20H18N4O2/c21-20(26)16-8-5-13-15(23-16)7-6-14(19(13)25)18-12-4-2-1-3-11(12)17-9-22-10-24(17)18/h1-5,8-10,14,18-19,25H,6-7H2,(H2,21,26)/t14-,18+,19+/m1/s1.
What are the key properties of (5R,6R)-5-hydroxy-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-2-carboxamide?
(5R,6R)-5-hydroxy-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-2-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5-hydroxy-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-2-carboxamide is sourced from PubChem (CID 129283125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).