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

C19H19N3O3S — CID 136608303

IUPAC8-hydroxy-6-[3-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one
SMILESCc1cc(C(=O)N2CCCCC2)sc1-c1cc(O)c2nc[nH]c(=O)c2c1
InChIInChI=1S/C19H19N3O3S/c1-11-7-15(19(25)22-5-3-2-4-6-22)26-17(11)12-8-13-16(14(23)9-12)20-10-21-18(13)24/h7-10,23H,2-6H2,1H3,(H,20,21,24)
InChIKeyRRNCIRFVKDHHSC-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.29
Rot. Bonds2

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

8-hydroxy-6-[3-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one (PubChem CID 136608303) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 8-hydroxy-6-[3-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-hydroxy-6-[3-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one
PubChem CID136608303
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name8-hydroxy-6-[3-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one
SMILESCc1cc(C(=O)N2CCCCC2)sc1-c1cc(O)c2nc[nH]c(=O)c2c1
InChIInChI=1S/C19H19N3O3S/c1-11-7-15(19(25)22-5-3-2-4-6-22)26-17(11)12-8-13-16(14(23)9-12)20-10-21-18(13)24/h7-10,23H,2-6H2,1H3,(H,20,21,24)
InChIKeyRRNCIRFVKDHHSC-UHFFFAOYSA-N
XLogP3.29
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-6-[3-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one?
The IUPAC name of 8-hydroxy-6-[3-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one (CID 136608303) is 8-hydroxy-6-[3-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 8-hydroxy-6-[3-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one?
The canonical SMILES for 8-hydroxy-6-[3-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one is Cc1cc(C(=O)N2CCCCC2)sc1-c1cc(O)c2nc[nH]c(=O)c2c1.
What is the InChIKey of 8-hydroxy-6-[3-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one?
The InChIKey is RRNCIRFVKDHHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-11-7-15(19(25)22-5-3-2-4-6-22)26-17(11)12-8-13-16(14(23)9-12)20-10-21-18(13)24/h7-10,23H,2-6H2,1H3,(H,20,21,24).
What are the key properties of 8-hydroxy-6-[3-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one?
8-hydroxy-6-[3-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one has a molecular weight of 369.45 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-6-[3-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 136608303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).