N-[4-[2-(1-methyl-2-methylsulfanyl-6-oxopyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide

C22H19N5O3S — CID 170056426

IUPACN-[4-[2-(1-methyl-2-methylsulfanyl-6-oxopyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide
SMILESCSc1ncc(-c2ccc3cc(Oc4ccnc(NC(C)=O)c4)ccc3n2)c(=O)n1C
InChIInChI=1S/C22H19N5O3S/c1-13(28)25-20-11-16(8-9-23-20)30-15-5-7-18-14(10-15)4-6-19(26-18)17-12-24-22(31-3)27(2)21(17)29/h4-12H,1-3H3,(H,23,25,28)
InChIKeyJSWPSFQAJMTPSZ-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.86
Rot. Bonds5

About N-[4-[2-(1-methyl-2-methylsulfanyl-6-oxopyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide

N-[4-[2-(1-methyl-2-methylsulfanyl-6-oxopyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide (PubChem CID 170056426) has the molecular formula C22H19N5O3S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[4-[2-(1-methyl-2-methylsulfanyl-6-oxopyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(1-methyl-2-methylsulfanyl-6-oxopyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide
PubChem CID170056426
Molecular FormulaC22H19N5O3S
Molecular Weight433.49 g/mol
Exact Mass433.12
IUPAC NameN-[4-[2-(1-methyl-2-methylsulfanyl-6-oxopyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide
SMILESCSc1ncc(-c2ccc3cc(Oc4ccnc(NC(C)=O)c4)ccc3n2)c(=O)n1C
InChIInChI=1S/C22H19N5O3S/c1-13(28)25-20-11-16(8-9-23-20)30-15-5-7-18-14(10-15)4-6-19(26-18)17-12-24-22(31-3)27(2)21(17)29/h4-12H,1-3H3,(H,23,25,28)
InChIKeyJSWPSFQAJMTPSZ-UHFFFAOYSA-N
XLogP3.86
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-[2-(1-methyl-2-methylsulfanyl-6-oxopyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-(1-methyl-6-oxo-2-piperidin-1-ylpyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide
CID 170055157
N-[4-[2-[1-methyl-2-oxo-6-(propan-2-ylamino)-3-pyridinyl]quinolin-6-yl]oxy-2-pyridinyl]acetamide
CID 170055162
N-[5-chloro-4-[2-[1-methyl-6-oxo-2-(propan-2-ylamino)pyrimidin-5-yl]quinolin-6-yl]oxy-2-pyridinyl]acetamide
CID 170055156
3-methyl-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-methylsulfanylpyrimidin-4-one
CID 90416241
5-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-2-(cyclopropylamino)-3-methylpyrimidin-4-one
CID 170055092
N-[4-[4-(methylamino)phenoxy]-2-pyridinyl]acetamide
CID 138528462
N-[4-[2-[[5-(azetidin-1-yl)-2-oxo-1-propan-2-yl-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 157041917
5-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpyrimidin-4-one
CID 170055764
N-[4-(3-fluorophenoxy)-2-pyridinyl]acetamide
CID 141205782
N-[4-[[6-(2-anilino-1-methyl-6-oxopyrimidin-5-yl)-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide
CID 24849198
3-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 170055168
tert-butyl 7-[6-[(2-bromo-4-pyridinyl)oxy]quinolin-2-yl]-2-methyl-6-oxo-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidine-1-carboxylate
CID 170056553

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-methyl-2-methylsulfanyl-6-oxopyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-(1-methyl-2-methylsulfanyl-6-oxopyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide (CID 170056426) is N-[4-[2-(1-methyl-2-methylsulfanyl-6-oxopyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-(1-methyl-2-methylsulfanyl-6-oxopyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-(1-methyl-2-methylsulfanyl-6-oxopyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide is CSc1ncc(-c2ccc3cc(Oc4ccnc(NC(C)=O)c4)ccc3n2)c(=O)n1C.
What is the InChIKey of N-[4-[2-(1-methyl-2-methylsulfanyl-6-oxopyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide?
The InChIKey is JSWPSFQAJMTPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S/c1-13(28)25-20-11-16(8-9-23-20)30-15-5-7-18-14(10-15)4-6-19(26-18)17-12-24-22(31-3)27(2)21(17)29/h4-12H,1-3H3,(H,23,25,28).
What are the key properties of N-[4-[2-(1-methyl-2-methylsulfanyl-6-oxopyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide?
N-[4-[2-(1-methyl-2-methylsulfanyl-6-oxopyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 433.49 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-methyl-2-methylsulfanyl-6-oxopyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 170056426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).