6-(4-oxoquinazolin-3-yl)-N-[4-(trifluoromethoxy)phenyl]hexanamide

C21H20F3N3O3 — CID 4899813

IUPAC6-(4-oxoquinazolin-3-yl)-N-[4-(trifluoromethoxy)phenyl]hexanamide
SMILESO=C(CCCCCn1cnc2ccccc2c1=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H20F3N3O3/c22-21(23,24)30-16-11-9-15(10-12-16)26-19(28)8-2-1-5-13-27-14-25-18-7-4-3-6-17(18)20(27)29/h3-4,6-7,9-12,14H,1-2,5,8,13H2,(H,26,28)
InChIKeyCQGJRVGVEQMQEV-UHFFFAOYSA-N
MW419.40 g/mol
LogP4.49
Rot. Bonds8

About 6-(4-oxoquinazolin-3-yl)-N-[4-(trifluoromethoxy)phenyl]hexanamide

6-(4-oxoquinazolin-3-yl)-N-[4-(trifluoromethoxy)phenyl]hexanamide (PubChem CID 4899813) has the molecular formula C21H20F3N3O3 and a molecular weight of 419.40 g/mol. Its IUPAC name is 6-(4-oxoquinazolin-3-yl)-N-[4-(trifluoromethoxy)phenyl]hexanamide.

Molecular Properties

Compound Name6-(4-oxoquinazolin-3-yl)-N-[4-(trifluoromethoxy)phenyl]hexanamide
PubChem CID4899813
Molecular FormulaC21H20F3N3O3
Molecular Weight419.40 g/mol
Exact Mass419.15
IUPAC Name6-(4-oxoquinazolin-3-yl)-N-[4-(trifluoromethoxy)phenyl]hexanamide
SMILESO=C(CCCCCn1cnc2ccccc2c1=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H20F3N3O3/c22-21(23,24)30-16-11-9-15(10-12-16)26-19(28)8-2-1-5-13-27-14-25-18-7-4-3-6-17(18)20(27)29/h3-4,6-7,9-12,14H,1-2,5,8,13H2,(H,26,28)
InChIKeyCQGJRVGVEQMQEV-UHFFFAOYSA-N
XLogP4.49
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(trifluoromethoxy)phenyl]hexanamide
CID 4909778
N-(4-tert-butylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 34756761
N-(4-nitrophenyl)-6-(4-oxoquinazolin-3-yl)hexanamide
CID 4904289
3-(benzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 36840698
6-(4-oxoquinazolin-3-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]hexanamide
CID 45494949
methyl 2-[6-(4-oxoquinazolin-3-yl)hexanoylamino]benzoate
CID 4905503
3-[4-oxo-4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]butyl]quinazolin-4-one
CID 30874398
1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 162429621
2-(4-oxoquinazolin-3-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 46423728
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 4911549
N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4905328
N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 26059200

Frequently Asked Questions

What is the IUPAC name of 6-(4-oxoquinazolin-3-yl)-N-[4-(trifluoromethoxy)phenyl]hexanamide?
The IUPAC name of 6-(4-oxoquinazolin-3-yl)-N-[4-(trifluoromethoxy)phenyl]hexanamide (CID 4899813) is 6-(4-oxoquinazolin-3-yl)-N-[4-(trifluoromethoxy)phenyl]hexanamide.
What is the SMILES notation for 6-(4-oxoquinazolin-3-yl)-N-[4-(trifluoromethoxy)phenyl]hexanamide?
The canonical SMILES for 6-(4-oxoquinazolin-3-yl)-N-[4-(trifluoromethoxy)phenyl]hexanamide is O=C(CCCCCn1cnc2ccccc2c1=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 6-(4-oxoquinazolin-3-yl)-N-[4-(trifluoromethoxy)phenyl]hexanamide?
The InChIKey is CQGJRVGVEQMQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O3/c22-21(23,24)30-16-11-9-15(10-12-16)26-19(28)8-2-1-5-13-27-14-25-18-7-4-3-6-17(18)20(27)29/h3-4,6-7,9-12,14H,1-2,5,8,13H2,(H,26,28).
What are the key properties of 6-(4-oxoquinazolin-3-yl)-N-[4-(trifluoromethoxy)phenyl]hexanamide?
6-(4-oxoquinazolin-3-yl)-N-[4-(trifluoromethoxy)phenyl]hexanamide has a molecular weight of 419.40 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-oxoquinazolin-3-yl)-N-[4-(trifluoromethoxy)phenyl]hexanamide is sourced from PubChem (CID 4899813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).