(5S,6S)-2-amino-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinazolin-5-ol

C18H17N5O — CID 129282996

IUPAC(5S,6S)-2-amino-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinazolin-5-ol
SMILESNc1ncc2c(n1)CC[C@@H]([C@@H]1c3ccccc3-c3cncn31)[C@@H]2O
InChIInChI=1S/C18H17N5O/c19-18-21-7-13-14(22-18)6-5-12(17(13)24)16-11-4-2-1-3-10(11)15-8-20-9-23(15)16/h1-4,7-9,12,16-17,24H,5-6H2,(H2,19,21,22)/t12-,16-,17-/m0/s1
InChIKeyRZDFLSVWIBWJCA-ZLIFDBKOSA-N
MW319.37 g/mol
LogP2.12
Rot. Bonds1

About (5S,6S)-2-amino-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinazolin-5-ol

(5S,6S)-2-amino-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinazolin-5-ol (PubChem CID 129282996) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is (5S,6S)-2-amino-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinazolin-5-ol.

Molecular Properties

Compound Name(5S,6S)-2-amino-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinazolin-5-ol
PubChem CID129282996
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name(5S,6S)-2-amino-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinazolin-5-ol
SMILESNc1ncc2c(n1)CC[C@@H]([C@@H]1c3ccccc3-c3cncn31)[C@@H]2O
InChIInChI=1S/C18H17N5O/c19-18-21-7-13-14(22-18)6-5-12(17(13)24)16-11-4-2-1-3-10(11)15-8-20-9-23(15)16/h1-4,7-9,12,16-17,24H,5-6H2,(H2,19,21,22)/t12-,16-,17-/m0/s1
InChIKeyRZDFLSVWIBWJCA-ZLIFDBKOSA-N
XLogP2.12
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5S,6S)-2-amino-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinazolin-5-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-2-amino-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinazolin-5-ol?
The IUPAC name of (5S,6S)-2-amino-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinazolin-5-ol (CID 129282996) is (5S,6S)-2-amino-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinazolin-5-ol.
What is the SMILES notation for (5S,6S)-2-amino-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinazolin-5-ol?
The canonical SMILES for (5S,6S)-2-amino-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinazolin-5-ol is Nc1ncc2c(n1)CC[C@@H]([C@@H]1c3ccccc3-c3cncn31)[C@@H]2O.
What is the InChIKey of (5S,6S)-2-amino-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinazolin-5-ol?
The InChIKey is RZDFLSVWIBWJCA-ZLIFDBKOSA-N. The full InChI is InChI=1S/C18H17N5O/c19-18-21-7-13-14(22-18)6-5-12(17(13)24)16-11-4-2-1-3-10(11)15-8-20-9-23(15)16/h1-4,7-9,12,16-17,24H,5-6H2,(H2,19,21,22)/t12-,16-,17-/m0/s1.
What are the key properties of (5S,6S)-2-amino-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinazolin-5-ol?
(5S,6S)-2-amino-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinazolin-5-ol has a molecular weight of 319.37 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-2-amino-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinazolin-5-ol is sourced from PubChem (CID 129282996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).