8-hydroxy-6-[3-methyl-5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one

C19H20N4O3S — CID 135567268

IUPAC8-hydroxy-6-[3-methyl-5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one
SMILESCc1cc(C(=O)N2CCN(C)CC2)sc1-c1cc(O)c2nc[nH]c(=O)c2c1
InChIInChI=1S/C19H20N4O3S/c1-11-7-15(19(26)23-5-3-22(2)4-6-23)27-17(11)12-8-13-16(14(24)9-12)20-10-21-18(13)25/h7-10,24H,3-6H2,1-2H3,(H,20,21,25)
InChIKeyDNJWFDOPNCCIRY-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.05
Rot. Bonds2

About 8-hydroxy-6-[3-methyl-5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one

8-hydroxy-6-[3-methyl-5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one (PubChem CID 135567268) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 8-hydroxy-6-[3-methyl-5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-hydroxy-6-[3-methyl-5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one
PubChem CID135567268
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name8-hydroxy-6-[3-methyl-5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one
SMILESCc1cc(C(=O)N2CCN(C)CC2)sc1-c1cc(O)c2nc[nH]c(=O)c2c1
InChIInChI=1S/C19H20N4O3S/c1-11-7-15(19(26)23-5-3-22(2)4-6-23)27-17(11)12-8-13-16(14(24)9-12)20-10-21-18(13)25/h7-10,24H,3-6H2,1-2H3,(H,20,21,25)
InChIKeyDNJWFDOPNCCIRY-UHFFFAOYSA-N
XLogP2.05
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-hydroxy-6-[3-methyl-5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one with MolForge

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Related Compounds

methyl 5-(8-hydroxy-4-oxo-3H-quinazolin-6-yl)-4-methylthiophene-2-carboxylate
CID 136608291
2-hydroxy-6-[3-methyl-5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]naphthalene-1-carbaldehyde
CID 88947001
8-hydroxy-6-(morpholine-4-carbonyl)-3H-quinazolin-4-one
CID 136608339
8-hydroxy-6-(2-oxo-1H-pyridin-3-yl)-3H-quinazolin-4-one
CID 136608410
(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone
CID 119375812
1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-one
CID 60656667
[5-(3-chlorophenyl)-4-methylthiophen-2-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400371
(4-methylpiperazin-1-yl)-[4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone
CID 122417936
[5-(4-fluorophenyl)-4-methylthiophen-2-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 167866377
(4-methylpiperazin-1-yl)-(7-methylthieno[2,3-b]quinolin-2-yl)methanone
CID 864178
[5-(4-fluorophenyl)-4-methylthiophen-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561560
1-[4-(5-bromo-4-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 79954864

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-6-[3-methyl-5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one?
The IUPAC name of 8-hydroxy-6-[3-methyl-5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one (CID 135567268) is 8-hydroxy-6-[3-methyl-5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 8-hydroxy-6-[3-methyl-5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one?
The canonical SMILES for 8-hydroxy-6-[3-methyl-5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one is Cc1cc(C(=O)N2CCN(C)CC2)sc1-c1cc(O)c2nc[nH]c(=O)c2c1.
What is the InChIKey of 8-hydroxy-6-[3-methyl-5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one?
The InChIKey is DNJWFDOPNCCIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-11-7-15(19(26)23-5-3-22(2)4-6-23)27-17(11)12-8-13-16(14(24)9-12)20-10-21-18(13)25/h7-10,24H,3-6H2,1-2H3,(H,20,21,25).
What are the key properties of 8-hydroxy-6-[3-methyl-5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one?
8-hydroxy-6-[3-methyl-5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one has a molecular weight of 384.46 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-6-[3-methyl-5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 135567268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).