N-butyl-2-[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide

C25H27N5O4S — CID 3236396

IUPACN-butyl-2-[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
SMILESCCCCNC(=O)CC1N=C2c3ccccc3N=C(SCC(=O)Nc3ccccc3OC)N2C1=O
InChIInChI=1S/C25H27N5O4S/c1-3-4-13-26-21(31)14-19-24(33)30-23(28-19)16-9-5-6-10-17(16)29-25(30)35-15-22(32)27-18-11-7-8-12-20(18)34-2/h5-12,19H,3-4,13-15H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyUXSFVEBIEIHADA-UHFFFAOYSA-N
MW493.59 g/mol
LogP3.33
Rot. Bonds9

About N-butyl-2-[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide

N-butyl-2-[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide (PubChem CID 3236396) has the molecular formula C25H27N5O4S and a molecular weight of 493.59 g/mol. Its IUPAC name is N-butyl-2-[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
PubChem CID3236396
Molecular FormulaC25H27N5O4S
Molecular Weight493.59 g/mol
Exact Mass493.18
IUPAC NameN-butyl-2-[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
SMILESCCCCNC(=O)CC1N=C2c3ccccc3N=C(SCC(=O)Nc3ccccc3OC)N2C1=O
InChIInChI=1S/C25H27N5O4S/c1-3-4-13-26-21(31)14-19-24(33)30-23(28-19)16-9-5-6-10-17(16)29-25(30)35-15-22(32)27-18-11-7-8-12-20(18)34-2/h5-12,19H,3-4,13-15H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyUXSFVEBIEIHADA-UHFFFAOYSA-N
XLogP3.33
TPSA112.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

DL-017
CID 9931976
2-[5-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 4535089
(3S)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]quinazoline
CID 9931977
2-[[4-(2-Methoxyphenyl)piperazin-1-yl]methyl]-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]quinazoline
CID 44310083
(3R)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]quinazoline
CID 9953974
N-(3-methoxyphenyl)-2-((3-oxo-2-(2-oxo-2-(phenethylamino)ethyl)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)thio)acetamide
CID 5161976
N-cyclopropyl-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2595322
4,7-Dimethyl-2-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-4-carboxylic acid cyclopentylcarbamoylmethyl-(2-methoxy-phenyl)-amide
CID 3224869
2-({2-[2-(butylamino)-2-oxoethyl]-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl}thio)-N-(3-methoxyphenyl)acetamide
CID 3238251
2-({3-[2-(acetylamino)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}thio)-N-(2-methoxyphenyl)acetamide
CID 3239034
Ethyl [(2-{2-[(4-methoxybenzyl)amino]-2-oxoethyl}-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)thio]acetate
CID 3241634
2-({2-[2-(butylamino)-2-oxoethyl]-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl}thio)-N-(4-methoxyphenyl)acetamide
CID 3245168

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide?
The IUPAC name of N-butyl-2-[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide (CID 3236396) is N-butyl-2-[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide.
What is the SMILES notation for N-butyl-2-[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide?
The canonical SMILES for N-butyl-2-[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide is CCCCNC(=O)CC1N=C2c3ccccc3N=C(SCC(=O)Nc3ccccc3OC)N2C1=O.
What is the InChIKey of N-butyl-2-[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide?
The InChIKey is UXSFVEBIEIHADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4S/c1-3-4-13-26-21(31)14-19-24(33)30-23(28-19)16-9-5-6-10-17(16)29-25(30)35-15-22(32)27-18-11-7-8-12-20(18)34-2/h5-12,19H,3-4,13-15H2,1-2H3,(H,26,31)(H,27,32).
What are the key properties of N-butyl-2-[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide?
N-butyl-2-[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide has a molecular weight of 493.59 g/mol, XLogP of 3.33, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide is sourced from PubChem (CID 3236396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).