N-[2-[6-[2-(butylamino)-4-methyl-1,3-thiazole-5-carbonyl]-3-oxo-4H-quinoxalin-2-yl]phenyl]propanamide

C26H27N5O3S — CID 75361249

IUPACN-[2-[6-[2-(butylamino)-4-methyl-1,3-thiazole-5-carbonyl]-3-oxo-4H-quinoxalin-2-yl]phenyl]propanamide
SMILESCCCCNc1nc(C)c(C(=O)c2ccc3nc(-c4ccccc4NC(=O)CC)c(=O)[nH]c3c2)s1
InChIInChI=1S/C26H27N5O3S/c1-4-6-13-27-26-28-15(3)24(35-26)23(33)16-11-12-19-20(14-16)31-25(34)22(30-19)17-9-7-8-10-18(17)29-21(32)5-2/h7-12,14H,4-6,13H2,1-3H3,(H,27,28)(H,29,32)(H,31,34)
InChIKeyXKGLVKBIJONJOS-UHFFFAOYSA-N
MW489.60 g/mol
LogP5.15
Rot. Bonds9

About N-[2-[6-[2-(butylamino)-4-methyl-1,3-thiazole-5-carbonyl]-3-oxo-4H-quinoxalin-2-yl]phenyl]propanamide

N-[2-[6-[2-(butylamino)-4-methyl-1,3-thiazole-5-carbonyl]-3-oxo-4H-quinoxalin-2-yl]phenyl]propanamide (PubChem CID 75361249) has the molecular formula C26H27N5O3S and a molecular weight of 489.60 g/mol. Its IUPAC name is N-[2-[6-[2-(butylamino)-4-methyl-1,3-thiazole-5-carbonyl]-3-oxo-4H-quinoxalin-2-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-[6-[2-(butylamino)-4-methyl-1,3-thiazole-5-carbonyl]-3-oxo-4H-quinoxalin-2-yl]phenyl]propanamide
PubChem CID75361249
Molecular FormulaC26H27N5O3S
Molecular Weight489.60 g/mol
Exact Mass489.18
IUPAC NameN-[2-[6-[2-(butylamino)-4-methyl-1,3-thiazole-5-carbonyl]-3-oxo-4H-quinoxalin-2-yl]phenyl]propanamide
SMILESCCCCNc1nc(C)c(C(=O)c2ccc3nc(-c4ccccc4NC(=O)CC)c(=O)[nH]c3c2)s1
InChIInChI=1S/C26H27N5O3S/c1-4-6-13-27-26-28-15(3)24(35-26)23(33)16-11-12-19-20(14-16)31-25(34)22(30-19)17-9-7-8-10-18(17)29-21(32)5-2/h7-12,14H,4-6,13H2,1-3H3,(H,27,28)(H,29,32)(H,31,34)
InChIKeyXKGLVKBIJONJOS-UHFFFAOYSA-N
XLogP5.15
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.60
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-[6-[2-(butylamino)-4-methyl-1,3-thiazole-5-carbonyl]-3-oxo-4H-quinoxalin-2-yl]phenyl]propanamide with MolForge

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Related Compounds

N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
CID 3163691
2-(2-acetamidophenyl)-3-oxo-N-(3-phenylpropyl)-4H-quinoxaline-6-carboxamide
CID 122176077
N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]propanamide
CID 71779729
N-[2-(7-chloro-3-oxo-4H-quinoxalin-2-yl)phenyl]butanamide
CID 53299187
2,2,2-trifluoro-N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
CID 8007173
4-methoxy-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
CID 5019834
2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]-N-propan-2-ylacetamide
CID 3481617
2,4-dimethyl-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
CID 100766377
ethyl 2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]acetate
CID 832829
5-[[4-methyl-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentylcarbamic acid
CID 23442507
2-(4-chlorophenoxy)-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
CID 7187733
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 90626039

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[2-(butylamino)-4-methyl-1,3-thiazole-5-carbonyl]-3-oxo-4H-quinoxalin-2-yl]phenyl]propanamide?
The IUPAC name of N-[2-[6-[2-(butylamino)-4-methyl-1,3-thiazole-5-carbonyl]-3-oxo-4H-quinoxalin-2-yl]phenyl]propanamide (CID 75361249) is N-[2-[6-[2-(butylamino)-4-methyl-1,3-thiazole-5-carbonyl]-3-oxo-4H-quinoxalin-2-yl]phenyl]propanamide.
What is the SMILES notation for N-[2-[6-[2-(butylamino)-4-methyl-1,3-thiazole-5-carbonyl]-3-oxo-4H-quinoxalin-2-yl]phenyl]propanamide?
The canonical SMILES for N-[2-[6-[2-(butylamino)-4-methyl-1,3-thiazole-5-carbonyl]-3-oxo-4H-quinoxalin-2-yl]phenyl]propanamide is CCCCNc1nc(C)c(C(=O)c2ccc3nc(-c4ccccc4NC(=O)CC)c(=O)[nH]c3c2)s1.
What is the InChIKey of N-[2-[6-[2-(butylamino)-4-methyl-1,3-thiazole-5-carbonyl]-3-oxo-4H-quinoxalin-2-yl]phenyl]propanamide?
The InChIKey is XKGLVKBIJONJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3S/c1-4-6-13-27-26-28-15(3)24(35-26)23(33)16-11-12-19-20(14-16)31-25(34)22(30-19)17-9-7-8-10-18(17)29-21(32)5-2/h7-12,14H,4-6,13H2,1-3H3,(H,27,28)(H,29,32)(H,31,34).
What are the key properties of N-[2-[6-[2-(butylamino)-4-methyl-1,3-thiazole-5-carbonyl]-3-oxo-4H-quinoxalin-2-yl]phenyl]propanamide?
N-[2-[6-[2-(butylamino)-4-methyl-1,3-thiazole-5-carbonyl]-3-oxo-4H-quinoxalin-2-yl]phenyl]propanamide has a molecular weight of 489.60 g/mol, XLogP of 5.15, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-[2-(butylamino)-4-methyl-1,3-thiazole-5-carbonyl]-3-oxo-4H-quinoxalin-2-yl]phenyl]propanamide is sourced from PubChem (CID 75361249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).