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

C18H20N6O3 — CID 135636952

IUPACN-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESO=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1n[nH]c(C2CCCO2)n1
InChIInChI=1S/C18H20N6O3/c25-15(21-18-22-16(23-24-18)13-7-4-10-27-13)9-3-8-14-19-12-6-2-1-5-11(12)17(26)20-14/h1-2,5-6,13H,3-4,7-10H2,(H,19,20,26)(H2,21,22,23,24,25)
InChIKeyKMZPUEKKKSGTHR-UHFFFAOYSA-N
MW368.40 g/mol
LogP1.85
Rot. Bonds6

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

N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide (PubChem CID 135636952) 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-oxo-3H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound NameN-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
PubChem CID135636952
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-oxo-3H-quinazolin-2-yl)butanamide
SMILESO=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1n[nH]c(C2CCCO2)n1
InChIInChI=1S/C18H20N6O3/c25-15(21-18-22-16(23-24-18)13-7-4-10-27-13)9-3-8-14-19-12-6-2-1-5-11(12)17(26)20-14/h1-2,5-6,13H,3-4,7-10H2,(H,19,20,26)(H2,21,22,23,24,25)
InChIKeyKMZPUEKKKSGTHR-UHFFFAOYSA-N
XLogP1.85
TPSA125.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide with MolForge

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Related Compounds

N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 71703140
oxolan-2-ylmethyl 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 137300052
N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135848488
3-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide
CID 97264147
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137276068
N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;1H-pyridin-4-one
CID 144584648
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135904863
2-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]acetamide
CID 97264932
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135890799
N-(3-fluorophenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135756626
4-(4-oxo-3H-quinazolin-2-yl)-N-quinolin-3-ylbutanamide
CID 135939873
(2-anilino-2-oxoethyl) 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782994

Frequently Asked Questions

What is the IUPAC name of N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The IUPAC name of N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide (CID 135636952) is N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide.
What is the SMILES notation for N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The canonical SMILES for N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide is O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1n[nH]c(C2CCCO2)n1.
What is the InChIKey of N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The InChIKey is KMZPUEKKKSGTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c25-15(21-18-22-16(23-24-18)13-7-4-10-27-13)9-3-8-14-19-12-6-2-1-5-11(12)17(26)20-14/h1-2,5-6,13H,3-4,7-10H2,(H,19,20,26)(H2,21,22,23,24,25).
What are the key properties of N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide has a molecular weight of 368.40 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 6 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-oxo-3H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 135636952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).