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

C22H18ClN5O2S — CID 3243827

IUPAC5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one
SMILESCC(C)C1N=C2c3ccccc3N=C(SCc3cc(=O)n4cc(Cl)ccc4n3)N2C1=O
InChIInChI=1S/C22H18ClN5O2S/c1-12(2)19-21(30)28-20(26-19)15-5-3-4-6-16(15)25-22(28)31-11-14-9-18(29)27-10-13(23)7-8-17(27)24-14/h3-10,12,19H,11H2,1-2H3
InChIKeyVYZGYTFGJHUTJT-UHFFFAOYSA-N
MW451.94 g/mol
LogP3.90
Rot. Bonds3

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

5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one (PubChem CID 3243827) has the molecular formula C22H18ClN5O2S and a molecular weight of 451.94 g/mol. Its IUPAC name is 5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one.

Molecular Properties

Compound Name5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one
PubChem CID3243827
Molecular FormulaC22H18ClN5O2S
Molecular Weight451.94 g/mol
Exact Mass451.09
IUPAC Name5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one
SMILESCC(C)C1N=C2c3ccccc3N=C(SCc3cc(=O)n4cc(Cl)ccc4n3)N2C1=O
InChIInChI=1S/C22H18ClN5O2S/c1-12(2)19-21(30)28-20(26-19)15-5-3-4-6-16(15)25-22(28)31-11-14-9-18(29)27-10-13(23)7-8-17(27)24-14/h3-10,12,19H,11H2,1-2H3
InChIKeyVYZGYTFGJHUTJT-UHFFFAOYSA-N
XLogP3.90
TPSA79.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.94
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2-propan-2-yl-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
2-{[2-(butan-2-yl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-(2-methylphenyl)butanamide
CID 20965633
2-sec-butyl-5-{[1-(2,3-dihydro-1H-indol-1-ylcarbonyl)propyl]thio}imidazo[1,2-c]quinazolin-3(2H)-one
CID 50798499
2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-phenylbutanamide
CID 50798532
2-{[2-(2-methylpropyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-phenylbutanamide
CID 50798587
[(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-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-2-methyl-2H,3H-imidazo[1,2-c]quinazolin-3-one
CID 3236922
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

Frequently Asked Questions

What is the IUPAC name of 5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2-propan-2-yl-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-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one (CID 3243827) is 5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2-propan-2-yl-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-propan-2-yl-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-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one is CC(C)C1N=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-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one?
The InChIKey is VYZGYTFGJHUTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O2S/c1-12(2)19-21(30)28-20(26-19)15-5-3-4-6-16(15)25-22(28)31-11-14-9-18(29)27-10-13(23)7-8-17(27)24-14/h3-10,12,19H,11H2,1-2H3.
What are the key properties of 5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one?
5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one has a molecular weight of 451.94 g/mol, XLogP of 3.90, 3 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-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one is sourced from PubChem (CID 3243827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).