6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine

C18H17N5 — CID 163364643

IUPAC6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESNc1ncc2c(n1)CCC(C1c3ccccc3-c3cncn31)C2
InChIInChI=1S/C18H17N5/c19-18-21-8-12-7-11(5-6-15(12)22-18)17-14-4-2-1-3-13(14)16-9-20-10-23(16)17/h1-4,8-11,17H,5-7H2,(H2,19,21,22)
InChIKeyYHENWPNXTJARNO-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.63
Rot. Bonds1

About 6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine

6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 163364643) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID163364643
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESNc1ncc2c(n1)CCC(C1c3ccccc3-c3cncn31)C2
InChIInChI=1S/C18H17N5/c19-18-21-8-12-7-11(5-6-15(12)22-18)17-14-4-2-1-3-13(14)16-9-20-10-23(16)17/h1-4,8-11,17H,5-7H2,(H2,19,21,22)
InChIKeyYHENWPNXTJARNO-UHFFFAOYSA-N
XLogP2.63
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(2-methyl-4,5,6,7-tetrahydro-2H-indol-5-yl)-5H-imidazo[5,1-a]isoindole
CID 175231273
5-cyclohexyl-5H-imidazo[5,1-a]isoindole
CID 137374390
5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole
CID 137374520
4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide
CID 137374322
(5R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinoxalin-5-ol
CID 129296075
4-(5H-imidazo[5,1-a]isoindol-5-yl)cyclohexane-1-carbonitrile
CID 137374490
4-(5H-imidazo[5,1-a]isoindol-5-yl)thiane 1,1-dioxide
CID 137374425
(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
5-(3,3-dimethylcyclobutyl)-5H-imidazo[5,1-a]isoindole
CID 137374403
(5R,6R)-5-hydroxy-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-2-carboxamide
CID 129283125

Frequently Asked Questions

What is the IUPAC name of 6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine (CID 163364643) is 6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine is Nc1ncc2c(n1)CCC(C1c3ccccc3-c3cncn31)C2.
What is the InChIKey of 6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is YHENWPNXTJARNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c19-18-21-8-12-7-11(5-6-15(12)22-18)17-14-4-2-1-3-13(14)16-9-20-10-23(16)17/h1-4,8-11,17H,5-7H2,(H2,19,21,22).
What are the key properties of 6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine?
6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 303.37 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 163364643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).