6-methyl-1-(2-thiophen-2-ylquinazolin-4-yl)piperidine-3-carboxamide

C19H20N4OS — CID 133271082

IUPAC6-methyl-1-(2-thiophen-2-ylquinazolin-4-yl)piperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C19H20N4OS/c1-12-8-9-13(17(20)24)11-23(12)19-14-5-2-3-6-15(14)21-18(22-19)16-7-4-10-25-16/h2-7,10,12-13H,8-9,11H2,1H3,(H2,20,24)
InChIKeyHPCQINGJTZKDPF-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.45
Rot. Bonds3

About 6-methyl-1-(2-thiophen-2-ylquinazolin-4-yl)piperidine-3-carboxamide

6-methyl-1-(2-thiophen-2-ylquinazolin-4-yl)piperidine-3-carboxamide (PubChem CID 133271082) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 6-methyl-1-(2-thiophen-2-ylquinazolin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-1-(2-thiophen-2-ylquinazolin-4-yl)piperidine-3-carboxamide
PubChem CID133271082
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name6-methyl-1-(2-thiophen-2-ylquinazolin-4-yl)piperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C19H20N4OS/c1-12-8-9-13(17(20)24)11-23(12)19-14-5-2-3-6-15(14)21-18(22-19)16-7-4-10-25-16/h2-7,10,12-13H,8-9,11H2,1H3,(H2,20,24)
InChIKeyHPCQINGJTZKDPF-UHFFFAOYSA-N
XLogP3.45
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(2-thiophen-2-ylquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 2573801
4-(2-thiophen-2-ylquinazolin-4-yl)morpholine-2-carboxamide
CID 49432802
(3R)-1-[2-(5-methylthiophen-2-yl)quinazolin-4-yl]pyrrolidine-3-carboxamide
CID 126422724
4-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-2-thiophen-2-ylquinazoline
CID 133280239
ethyl 2-[(2S)-1-(2-thiophen-2-ylquinazolin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 99795207
(3S,6R)-1-(1,3-benzoxazol-2-yl)-6-methylpiperidine-3-carboxamide
CID 94196147
N-(2-thiophen-2-ylethyl)-1-(2-thiophen-2-ylquinazolin-4-yl)piperidine-4-carboxamide
CID 133277456
4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylquinazoline
CID 133280074
(3S)-1-(2-pyridin-4-ylquinazolin-4-yl)pyrrolidine-3-carboxamide
CID 94434184
(3S,6R)-6-methyl-1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 51957204
1-(4-methylpiperidin-1-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanone
CID 4786666
tert-butyl 2-(2-thiophen-2-ylquinazolin-4-yl)pyrazolidine-1-carboxylate
CID 71906621

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-thiophen-2-ylquinazolin-4-yl)piperidine-3-carboxamide?
The IUPAC name of 6-methyl-1-(2-thiophen-2-ylquinazolin-4-yl)piperidine-3-carboxamide (CID 133271082) is 6-methyl-1-(2-thiophen-2-ylquinazolin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 6-methyl-1-(2-thiophen-2-ylquinazolin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 6-methyl-1-(2-thiophen-2-ylquinazolin-4-yl)piperidine-3-carboxamide is CC1CCC(C(N)=O)CN1c1nc(-c2cccs2)nc2ccccc12.
What is the InChIKey of 6-methyl-1-(2-thiophen-2-ylquinazolin-4-yl)piperidine-3-carboxamide?
The InChIKey is HPCQINGJTZKDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-12-8-9-13(17(20)24)11-23(12)19-14-5-2-3-6-15(14)21-18(22-19)16-7-4-10-25-16/h2-7,10,12-13H,8-9,11H2,1H3,(H2,20,24).
What are the key properties of 6-methyl-1-(2-thiophen-2-ylquinazolin-4-yl)piperidine-3-carboxamide?
6-methyl-1-(2-thiophen-2-ylquinazolin-4-yl)piperidine-3-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-thiophen-2-ylquinazolin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 133271082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).