N-(3-methoxyphenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]butanamide

C26H27N7O2S — CID 3265243

IUPACN-(3-methoxyphenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]butanamide
SMILESCCC(Sc1nc2ccccc2c2nc(CCn3cncc3C)nn12)C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C26H27N7O2S/c1-4-22(25(34)28-18-8-7-9-19(14-18)35-3)36-26-29-21-11-6-5-10-20(21)24-30-23(31-33(24)26)12-13-32-16-27-15-17(32)2/h5-11,14-16,22H,4,12-13H2,1-3H3,(H,28,34)
InChIKeyCTWPBNALSYSRMN-UHFFFAOYSA-N
MW501.62 g/mol
LogP4.54
Rot. Bonds9

About N-(3-methoxyphenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]butanamide

N-(3-methoxyphenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]butanamide (PubChem CID 3265243) has the molecular formula C26H27N7O2S and a molecular weight of 501.62 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]butanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]butanamide
PubChem CID3265243
Molecular FormulaC26H27N7O2S
Molecular Weight501.62 g/mol
Exact Mass501.19
IUPAC NameN-(3-methoxyphenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]butanamide
SMILESCCC(Sc1nc2ccccc2c2nc(CCn3cncc3C)nn12)C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C26H27N7O2S/c1-4-22(25(34)28-18-8-7-9-19(14-18)35-3)36-26-29-21-11-6-5-10-20(21)24-30-23(31-33(24)26)12-13-32-16-27-15-17(32)2/h5-11,14-16,22H,4,12-13H2,1-3H3,(H,28,34)
InChIKeyCTWPBNALSYSRMN-UHFFFAOYSA-N
XLogP4.54
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.62
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(3-methoxyphenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]butanamide
CID 46369725
N-(3-methoxyphenyl)-2-[[8-oxo-7-(2-phenylethyl)-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]butanamide
CID 4084198
(2S)-N-(3-methoxyphenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 9360732
N-(3-methoxyphenyl)-2-phenylsulfanylbutanamide
CID 23886285
(2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methoxyphenyl)propanamide
CID 9329570
3-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylbutanoylamino]benzoic acid
CID 23858595
N-(2-fluorophenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]butanamide
CID 3502941
(2R)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide
CID 40940383
N-benzyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]butanamide
CID 46683933
N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylbutanamide
CID 23743067
(2R)-N-(3-methoxyphenyl)-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylpropanamide
CID 42156454
2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(3-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 4188780

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]butanamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]butanamide (CID 3265243) is N-(3-methoxyphenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]butanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]butanamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]butanamide is CCC(Sc1nc2ccccc2c2nc(CCn3cncc3C)nn12)C(=O)Nc1cccc(OC)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]butanamide?
The InChIKey is CTWPBNALSYSRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2S/c1-4-22(25(34)28-18-8-7-9-19(14-18)35-3)36-26-29-21-11-6-5-10-20(21)24-30-23(31-33(24)26)12-13-32-16-27-15-17(32)2/h5-11,14-16,22H,4,12-13H2,1-3H3,(H,28,34).
What are the key properties of N-(3-methoxyphenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]butanamide?
N-(3-methoxyphenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]butanamide has a molecular weight of 501.62 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]butanamide is sourced from PubChem (CID 3265243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).