5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one

C20H14ClN5O2S — CID 3236922

IUPAC5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one
SMILESCC1N=C2c3ccccc3N=C(SCc3cc(=O)n4cc(Cl)ccc4n3)N2C1=O
InChIInChI=1S/C20H14ClN5O2S/c1-11-19(28)26-18(22-11)14-4-2-3-5-15(14)24-20(26)29-10-13-8-17(27)25-9-12(21)6-7-16(25)23-13/h2-9,11H,10H2,1H3
InChIKeyTXOQVBJZANGJTM-UHFFFAOYSA-N
MW423.89 g/mol
LogP3.26
Rot. Bonds2

About 5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one

5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one (PubChem CID 3236922) has the molecular formula C20H14ClN5O2S and a molecular weight of 423.89 g/mol. Its IUPAC name is 5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one.

Molecular Properties

Compound Name5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one
PubChem CID3236922
Molecular FormulaC20H14ClN5O2S
Molecular Weight423.89 g/mol
Exact Mass423.06
IUPAC Name5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one
SMILESCC1N=C2c3ccccc3N=C(SCc3cc(=O)n4cc(Cl)ccc4n3)N2C1=O
InChIInChI=1S/C20H14ClN5O2S/c1-11-19(28)26-18(22-11)14-4-2-3-5-15(14)24-20(26)29-10-13-8-17(27)25-9-12(21)6-7-16(25)23-13/h2-9,11H,10H2,1H3
InChIKeyTXOQVBJZANGJTM-UHFFFAOYSA-N
XLogP3.26
TPSA79.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.89
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one with MolForge

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Related Compounds

2-({2-methyl-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl}sulfanyl)-N-(2-phenylethyl)acetamide
CID 16028657
5-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-2-(propan-2-yl)-2H,3H-imidazo[1,2-c]quinazolin-3-one
CID 3243827
[(2-Isopropyl-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)thio]acetonitrile
CID 3244416
N-cyclohexyl-N-methyl-2-({3-oxo-2-phenyl-2H,3H-imidazo[1,2-c]quinazolin-5-yl}sulfanyl)acetamide
CID 4685148
N,N-diethyl-2-({3-oxo-2-phenyl-2H,3H-imidazo[1,2-c]quinazolin-5-yl}sulfanyl)acetamide
CID 9551148
5-[1-(2,3,3a,7a-tetrahydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one
CID 168287147
5-[(4-methylbenzyl)sulfanyl]imidazo[1,2-c]quinazolin-2(3H)-one
CID 1477531
2-({2-[2-(benzylamino)-2-oxoethyl]-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl}thio)-N-(sec-butyl)acetamide
CID 3244031
N-{2-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]thio}-4-oxoquinazolin-3(4H)-yl]ethyl}acetamide
CID 3245871
5-[1-(2,3,3a,7a-tetrahydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-(2-methylpropyl)-2H-imidazo[1,2-c]quinazolin-3-one
CID 168292744
5-[(4-fluorophenyl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one
CID 4683139
N-(4-chlorobenzyl)-2-((2-methyl-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)thio)acetamide
CID 16028571

Frequently Asked Questions

What is the IUPAC name of 5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one?
The IUPAC name of 5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one (CID 3236922) is 5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one.
What is the SMILES notation for 5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one?
The canonical SMILES for 5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one is CC1N=C2c3ccccc3N=C(SCc3cc(=O)n4cc(Cl)ccc4n3)N2C1=O.
What is the InChIKey of 5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one?
The InChIKey is TXOQVBJZANGJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN5O2S/c1-11-19(28)26-18(22-11)14-4-2-3-5-15(14)24-20(26)29-10-13-8-17(27)25-9-12(21)6-7-16(25)23-13/h2-9,11H,10H2,1H3.
What are the key properties of 5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one?
5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one has a molecular weight of 423.89 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one is sourced from PubChem (CID 3236922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).