N-(4-methoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide

C22H22N4O3S — CID 163335981

IUPACN-(4-methoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
SMILESCCCC1C(=O)N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(OC)cc3)N21
InChIInChI=1S/C22H22N4O3S/c1-3-6-18-21(28)25-20-16-7-4-5-8-17(16)24-22(26(18)20)30-13-19(27)23-14-9-11-15(29-2)12-10-14/h4-5,7-12,18H,3,6,13H2,1-2H3,(H,23,27)
InChIKeyOWUJCBGMCUIVGN-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.83
Rot. Bonds6

About N-(4-methoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide

N-(4-methoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide (PubChem CID 163335981) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
PubChem CID163335981
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC NameN-(4-methoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
SMILESCCCC1C(=O)N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(OC)cc3)N21
InChIInChI=1S/C22H22N4O3S/c1-3-6-18-21(28)25-20-16-7-4-5-8-17(16)24-22(26(18)20)30-13-19(27)23-14-9-11-15(29-2)12-10-14/h4-5,7-12,18H,3,6,13H2,1-2H3,(H,23,27)
InChIKeyOWUJCBGMCUIVGN-UHFFFAOYSA-N
XLogP3.83
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163337554
N-(4-chlorophenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163337180
N-(3,4-dimethylphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163337404
N-(4-methoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide
CID 163336042
N-[(4-fluorophenyl)methyl]-2-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide
CID 163337017
N-(4-ethoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 163335899
N-(furan-2-ylmethyl)-2-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide
CID 163336651
N-(2,5-difluorophenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163337033
N-butyl-3-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]propanamide
CID 156610961
N-(3,4-dimethoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 163337158
N-cyclohexyl-2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide
CID 163337342
N-(3,5-dimethoxyphenyl)-2-[(2-oxo-3-phenyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163336537

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide (CID 163335981) is N-(4-methoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide is CCCC1C(=O)N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(OC)cc3)N21.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?
The InChIKey is OWUJCBGMCUIVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-3-6-18-21(28)25-20-16-7-4-5-8-17(16)24-22(26(18)20)30-13-19(27)23-14-9-11-15(29-2)12-10-14/h4-5,7-12,18H,3,6,13H2,1-2H3,(H,23,27).
What are the key properties of N-(4-methoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?
N-(4-methoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide has a molecular weight of 422.51 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide is sourced from PubChem (CID 163335981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).