N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxoquinazolin-3-yl)butanamide

C18H20N6O3 — CID 71703140

IUPACN-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxoquinazolin-3-yl)butanamide
SMILESO=C(CCCn1cnc2ccccc2c1=O)Nc1n[nH]c(C2CCCO2)n1
InChIInChI=1S/C18H20N6O3/c25-15(20-18-21-16(22-23-18)14-7-4-10-27-14)8-3-9-24-11-19-13-6-2-1-5-12(13)17(24)26/h1-2,5-6,11,14H,3-4,7-10H2,(H2,20,21,22,23,25)
InChIKeyZCWZXGZYOOMJGM-UHFFFAOYSA-N
MW368.40 g/mol
LogP1.78
Rot. Bonds6

About N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxoquinazolin-3-yl)butanamide

N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxoquinazolin-3-yl)butanamide (PubChem CID 71703140) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxoquinazolin-3-yl)butanamide
PubChem CID71703140
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC NameN-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxoquinazolin-3-yl)butanamide
SMILESO=C(CCCn1cnc2ccccc2c1=O)Nc1n[nH]c(C2CCCO2)n1
InChIInChI=1S/C18H20N6O3/c25-15(20-18-21-16(22-23-18)14-7-4-10-27-14)8-3-9-24-11-19-13-6-2-1-5-12(13)17(24)26/h1-2,5-6,11,14H,3-4,7-10H2,(H2,20,21,22,23,25)
InChIKeyZCWZXGZYOOMJGM-UHFFFAOYSA-N
XLogP1.78
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135636952
3-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide
CID 97264147
N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 71707880
2-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]acetamide
CID 97264932
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 4911549
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 35246626
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 51720272
N-(4-tert-butylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 34756761
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 51951513
3-[3-oxo-3-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propyl]quinazolin-4-one
CID 47092221
N-(2,5-dichlorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 46666719
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 42958854

Frequently Asked Questions

What is the IUPAC name of N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxoquinazolin-3-yl)butanamide (CID 71703140) is N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxoquinazolin-3-yl)butanamide is O=C(CCCn1cnc2ccccc2c1=O)Nc1n[nH]c(C2CCCO2)n1.
What is the InChIKey of N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxoquinazolin-3-yl)butanamide?
The InChIKey is ZCWZXGZYOOMJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c25-15(20-18-21-16(22-23-18)14-7-4-10-27-14)8-3-9-24-11-19-13-6-2-1-5-12(13)17(24)26/h1-2,5-6,11,14H,3-4,7-10H2,(H2,20,21,22,23,25).
What are the key properties of N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxoquinazolin-3-yl)butanamide?
N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxoquinazolin-3-yl)butanamide has a molecular weight of 368.40 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 71703140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).