6-amino-2-(thiophen-2-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one

C14H12N6OS — CID 135800218

IUPAC6-amino-2-(thiophen-2-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESNc1nc2cc3nc(NCc4cccs4)[nH]c3cc2c(=O)[nH]1
InChIInChI=1S/C14H12N6OS/c15-13-17-9-5-11-10(4-8(9)12(21)20-13)18-14(19-11)16-6-7-2-1-3-22-7/h1-5H,6H2,(H2,16,18,19)(H3,15,17,20,21)
InChIKeyIQKMJWDYMFWZRF-UHFFFAOYSA-N
MW312.36 g/mol
LogP2.06
Rot. Bonds3

About 6-amino-2-(thiophen-2-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one

6-amino-2-(thiophen-2-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (PubChem CID 135800218) has the molecular formula C14H12N6OS and a molecular weight of 312.36 g/mol. Its IUPAC name is 6-amino-2-(thiophen-2-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.

Molecular Properties

Compound Name6-amino-2-(thiophen-2-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
PubChem CID135800218
Molecular FormulaC14H12N6OS
Molecular Weight312.36 g/mol
Exact Mass312.08
IUPAC Name6-amino-2-(thiophen-2-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESNc1nc2cc3nc(NCc4cccs4)[nH]c3cc2c(=O)[nH]1
InChIInChI=1S/C14H12N6OS/c15-13-17-9-5-11-10(4-8(9)12(21)20-13)18-14(19-11)16-6-7-2-1-3-22-7/h1-5H,6H2,(H2,16,18,19)(H3,15,17,20,21)
InChIKeyIQKMJWDYMFWZRF-UHFFFAOYSA-N
XLogP2.06
TPSA112.48 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(thiophen-2-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The IUPAC name of 6-amino-2-(thiophen-2-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (CID 135800218) is 6-amino-2-(thiophen-2-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.
What is the SMILES notation for 6-amino-2-(thiophen-2-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The canonical SMILES for 6-amino-2-(thiophen-2-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is Nc1nc2cc3nc(NCc4cccs4)[nH]c3cc2c(=O)[nH]1.
What is the InChIKey of 6-amino-2-(thiophen-2-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The InChIKey is IQKMJWDYMFWZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6OS/c15-13-17-9-5-11-10(4-8(9)12(21)20-13)18-14(19-11)16-6-7-2-1-3-22-7/h1-5H,6H2,(H2,16,18,19)(H3,15,17,20,21).
What are the key properties of 6-amino-2-(thiophen-2-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
6-amino-2-(thiophen-2-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one has a molecular weight of 312.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(thiophen-2-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is sourced from PubChem (CID 135800218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).