(7S)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C20H16N4O — CID 175796654

IUPAC(7S)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cnc2c(c1)CC[C@@H]([C@@H]1c3ccccc3-c3cncn31)C2O
InChIInChI=1S/C20H16N4O/c21-8-12-7-13-5-6-16(20(25)18(13)23-9-12)19-15-4-2-1-3-14(15)17-10-22-11-24(17)19/h1-4,7,9-11,16,19-20,25H,5-6H2/t16-,19-,20?/m0/s1
InChIKeyWNYPDTRNCFOSKR-QICOWLOGSA-N
MW328.38 g/mol
LogP3.02
Rot. Bonds1

About (7S)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

(7S)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 175796654) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is (7S)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name(7S)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID175796654
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name(7S)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cnc2c(c1)CC[C@@H]([C@@H]1c3ccccc3-c3cncn31)C2O
InChIInChI=1S/C20H16N4O/c21-8-12-7-13-5-6-16(20(25)18(13)23-9-12)19-15-4-2-1-3-14(15)17-10-22-11-24(17)19/h1-4,7,9-11,16,19-20,25H,5-6H2/t16-,19-,20?/m0/s1
InChIKeyWNYPDTRNCFOSKR-QICOWLOGSA-N
XLogP3.02
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7S)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of (7S)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 175796654) is (7S)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for (7S)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for (7S)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is N#Cc1cnc2c(c1)CC[C@@H]([C@@H]1c3ccccc3-c3cncn31)C2O.
What is the InChIKey of (7S)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is WNYPDTRNCFOSKR-QICOWLOGSA-N. The full InChI is InChI=1S/C20H16N4O/c21-8-12-7-13-5-6-16(20(25)18(13)23-9-12)19-15-4-2-1-3-14(15)17-10-22-11-24(17)19/h1-4,7,9-11,16,19-20,25H,5-6H2/t16-,19-,20?/m0/s1.
What are the key properties of (7S)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
(7S)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 328.38 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 175796654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).