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

C25H27N5O3S — CID 3237817

IUPACN-butyl-2-[5-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
SMILESCCCCNC(=O)CC1N=C2c3ccccc3N=C(SCC(=O)Nc3ccccc3C)N2C1=O
InChIInChI=1S/C25H27N5O3S/c1-3-4-13-26-21(31)14-20-24(33)30-23(28-20)17-10-6-8-12-19(17)29-25(30)34-15-22(32)27-18-11-7-5-9-16(18)2/h5-12,20H,3-4,13-15H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyUXJFQCIWWJJBFG-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.63
Rot. Bonds8

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

N-butyl-2-[5-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide (PubChem CID 3237817) has the molecular formula C25H27N5O3S and a molecular weight of 477.59 g/mol. Its IUPAC name is N-butyl-2-[5-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[5-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
PubChem CID3237817
Molecular FormulaC25H27N5O3S
Molecular Weight477.59 g/mol
Exact Mass477.18
IUPAC NameN-butyl-2-[5-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
SMILESCCCCNC(=O)CC1N=C2c3ccccc3N=C(SCC(=O)Nc3ccccc3C)N2C1=O
InChIInChI=1S/C25H27N5O3S/c1-3-4-13-26-21(31)14-20-24(33)30-23(28-20)17-10-6-8-12-19(17)29-25(30)34-15-22(32)27-18-11-7-5-9-16(18)2/h5-12,20H,3-4,13-15H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyUXJFQCIWWJJBFG-UHFFFAOYSA-N
XLogP3.63
TPSA103.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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
4-Methyl-2-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-4-carboxylic acid cyclopentylcarbamoylmethyl-o-tolyl-amide
CID 3224155
N-[2-(cyclopentylamino)-2-oxoethyl]-4,7-dimethyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 3224156
7-Chloro-4-methyl-2-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-4-carboxylic acid cyclopentylcarbamoylmethyl-o-tolyl-amide
CID 3224157
N-Cyclopentyl-2-(1-{4,9-dimethyl-2-oxo-3H-pyrido[1,2-A]pyrimidin-4-YL}-N-(2-methylphenyl)formamido)acetamide
CID 3224883
2-[5-[[2-(3-methoxypropylamino)-2-oxoethyl]thio]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(phenylmethyl)acetamide
CID 3235767
N-{2-[4-(aminosulfonyl)phenyl]ethyl}-2-[(2-isopropyl-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)thio]acetamide
CID 3238304
2-{5-[(2-amino-2-oxoethyl)thio]-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-2-yl}-N-(thien-2-ylmethyl)acetamide
CID 3243789

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[5-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide?
The IUPAC name of N-butyl-2-[5-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide (CID 3237817) is N-butyl-2-[5-[2-(2-methylanilino)-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-methylanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide?
The canonical SMILES for N-butyl-2-[5-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide is CCCCNC(=O)CC1N=C2c3ccccc3N=C(SCC(=O)Nc3ccccc3C)N2C1=O.
What is the InChIKey of N-butyl-2-[5-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide?
The InChIKey is UXJFQCIWWJJBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S/c1-3-4-13-26-21(31)14-20-24(33)30-23(28-20)17-10-6-8-12-19(17)29-25(30)34-15-22(32)27-18-11-7-5-9-16(18)2/h5-12,20H,3-4,13-15H2,1-2H3,(H,26,31)(H,27,32).
What are the key properties of N-butyl-2-[5-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide?
N-butyl-2-[5-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide has a molecular weight of 477.59 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[5-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide is sourced from PubChem (CID 3237817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).