N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide

C20H20ClN5OS — CID 42485107

IUPACN-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)NCc1nc(N2CCCC2)c2cc(Cl)ccc2n1
InChIInChI=1S/C20H20ClN5OS/c21-14-6-7-16-15(11-14)20(26-9-3-4-10-26)25-17(24-16)12-23-18(27)13-28-19-5-1-2-8-22-19/h1-2,5-8,11H,3-4,9-10,12-13H2,(H,23,27)
InChIKeyWARJIVAKAJBLAS-UHFFFAOYSA-N
MW413.93 g/mol
LogP3.69
Rot. Bonds6

About N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide

N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 42485107) has the molecular formula C20H20ClN5OS and a molecular weight of 413.93 g/mol. Its IUPAC name is N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide
PubChem CID42485107
Molecular FormulaC20H20ClN5OS
Molecular Weight413.93 g/mol
Exact Mass413.11
IUPAC NameN-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)NCc1nc(N2CCCC2)c2cc(Cl)ccc2n1
InChIInChI=1S/C20H20ClN5OS/c21-14-6-7-16-15(11-14)20(26-9-3-4-10-26)25-17(24-16)12-23-18(27)13-28-19-5-1-2-8-22-19/h1-2,5-8,11H,3-4,9-10,12-13H2,(H,23,27)
InChIKeyWARJIVAKAJBLAS-UHFFFAOYSA-N
XLogP3.69
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]benzenesulfonamide
CID 42322477
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
CID 6622143
N-(5-chloro-2-morpholin-4-ylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 3536832
N-(5-chloro-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide
CID 3918454
5-[(2-pyridin-2-ylsulfanylacetyl)amino]benzene-1,3-dicarboxylic acid
CID 708008
2,6-dichloro-4-pyrrolidin-1-ylquinazoline
CID 114692901
N-[(5-chlorothiophen-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide
CID 47287457
1-[4-[4-[6-chloro-2-(2-phenylethyl)quinazolin-4-yl]piperazin-1-yl]phenyl]ethanone
CID 4688099
N-(1H-benzimidazol-2-ylmethyl)-2-pyridin-2-ylsulfanylacetamide
CID 21008866
N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670571
N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330
3-chloro-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 91966623

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide (CID 42485107) is N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)NCc1nc(N2CCCC2)c2cc(Cl)ccc2n1.
What is the InChIKey of N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is WARJIVAKAJBLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5OS/c21-14-6-7-16-15(11-14)20(26-9-3-4-10-26)25-17(24-16)12-23-18(27)13-28-19-5-1-2-8-22-19/h1-2,5-8,11H,3-4,9-10,12-13H2,(H,23,27).
What are the key properties of N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide?
N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 413.93 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 42485107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).