N-(1-ethylpiperidin-4-yl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

C23H27N5O2S — CID 41460806

IUPACN-(1-ethylpiperidin-4-yl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCCN1CCC(NC(=O)CSc2nc3ccccc3c(=O)n2-c2cc(C)ccn2)CC1
InChIInChI=1S/C23H27N5O2S/c1-3-27-12-9-17(10-13-27)25-21(29)15-31-23-26-19-7-5-4-6-18(19)22(30)28(23)20-14-16(2)8-11-24-20/h4-8,11,14,17H,3,9-10,12-13,15H2,1-2H3,(H,25,29)
InChIKeyNUBDTVVHYURIIB-UHFFFAOYSA-N
MW437.57 g/mol
LogP2.78
Rot. Bonds6

About N-(1-ethylpiperidin-4-yl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

N-(1-ethylpiperidin-4-yl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 41460806) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID41460806
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC NameN-(1-ethylpiperidin-4-yl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCCN1CCC(NC(=O)CSc2nc3ccccc3c(=O)n2-c2cc(C)ccn2)CC1
InChIInChI=1S/C23H27N5O2S/c1-3-27-12-9-17(10-13-27)25-21(29)15-31-23-26-19-7-5-4-6-18(19)22(30)28(23)20-14-16(2)8-11-24-20/h4-8,11,14,17H,3,9-10,12-13,15H2,1-2H3,(H,25,29)
InChIKeyNUBDTVVHYURIIB-UHFFFAOYSA-N
XLogP2.78
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
CID 41326740
2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
CID 41355483
3-(4-methyl-2-pyridinyl)-2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanylquinazolin-4-one
CID 17403691
N-(2-methylpropyl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 40572002
N-[(2S)-3-methylbutan-2-yl]-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 40571986
3-(4-methyl-2-pyridinyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
CID 17404456
N-(4-fluorophenyl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 55321725
N-(2-chloro-4-methylphenyl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 112783686
1-methyl-N-[2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrrole-2-carboxamide
CID 16611612
N-cyclopropyl-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2588477
tert-butyl 2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 40571999
2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 112783675

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 41460806) is N-(1-ethylpiperidin-4-yl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is CCN1CCC(NC(=O)CSc2nc3ccccc3c(=O)n2-c2cc(C)ccn2)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is NUBDTVVHYURIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-3-27-12-9-17(10-13-27)25-21(29)15-31-23-26-19-7-5-4-6-18(19)22(30)28(23)20-14-16(2)8-11-24-20/h4-8,11,14,17H,3,9-10,12-13,15H2,1-2H3,(H,25,29).
What are the key properties of N-(1-ethylpiperidin-4-yl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
N-(1-ethylpiperidin-4-yl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 437.57 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 41460806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).