N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-(trifluoromethyl)quinazolin-6-yl]-3,5-dimethylbenzamide

C28H23F3N4O2 — CID 176910338

IUPACN-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-(trifluoromethyl)quinazolin-6-yl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc3nc(C(F)(F)F)n(CCc4c[nH]c5ccccc45)c(=O)c3c2)c1
InChIInChI=1S/C28H23F3N4O2/c1-16-11-17(2)13-19(12-16)25(36)33-20-7-8-24-22(14-20)26(37)35(27(34-24)28(29,30)31)10-9-18-15-32-23-6-4-3-5-21(18)23/h3-8,11-15,32H,9-10H2,1-2H3,(H,33,36)
InChIKeyPGIQOVVXRPVLTB-UHFFFAOYSA-N
MW504.51 g/mol
LogP6.01
Rot. Bonds5

About N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-(trifluoromethyl)quinazolin-6-yl]-3,5-dimethylbenzamide

N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-(trifluoromethyl)quinazolin-6-yl]-3,5-dimethylbenzamide (PubChem CID 176910338) has the molecular formula C28H23F3N4O2 and a molecular weight of 504.51 g/mol. Its IUPAC name is N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-(trifluoromethyl)quinazolin-6-yl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-(trifluoromethyl)quinazolin-6-yl]-3,5-dimethylbenzamide
PubChem CID176910338
Molecular FormulaC28H23F3N4O2
Molecular Weight504.51 g/mol
Exact Mass504.18
IUPAC NameN-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-(trifluoromethyl)quinazolin-6-yl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc3nc(C(F)(F)F)n(CCc4c[nH]c5ccccc45)c(=O)c3c2)c1
InChIInChI=1S/C28H23F3N4O2/c1-16-11-17(2)13-19(12-16)25(36)33-20-7-8-24-22(14-20)26(37)35(27(34-24)28(29,30)31)10-9-18-15-32-23-6-4-3-5-21(18)23/h3-8,11-15,32H,9-10H2,1-2H3,(H,33,36)
InChIKeyPGIQOVVXRPVLTB-UHFFFAOYSA-N
XLogP6.01
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.51
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-(trifluoromethyl)quinazolin-6-yl]-3,5-dimethylbenzamide with MolForge

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Related Compounds

N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide
CID 176910347
N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide
CID 1456531
N-(3,5-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide
CID 109261299
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109055667
5-[2-(1H-indol-3-yl)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109237696
3-[2-(1H-indol-3-yl)ethyl]-2-methoxyquinazolin-4-one
CID 86115872
2-(1H-indol-3-yl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide
CID 156599885
N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 71703213
N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]oxane-4-carboxamide
CID 176910364
N-(3,5-dimethylphenyl)-4-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109215354
N-[N-(3,5-dimethylphenyl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]benzamide
CID 53209676
4-[2-(1H-indol-3-yl)ethylamino]-N-pyridin-4-ylbenzamide
CID 59555813

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-(trifluoromethyl)quinazolin-6-yl]-3,5-dimethylbenzamide?
The IUPAC name of N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-(trifluoromethyl)quinazolin-6-yl]-3,5-dimethylbenzamide (CID 176910338) is N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-(trifluoromethyl)quinazolin-6-yl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-(trifluoromethyl)quinazolin-6-yl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-(trifluoromethyl)quinazolin-6-yl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)Nc2ccc3nc(C(F)(F)F)n(CCc4c[nH]c5ccccc45)c(=O)c3c2)c1.
What is the InChIKey of N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-(trifluoromethyl)quinazolin-6-yl]-3,5-dimethylbenzamide?
The InChIKey is PGIQOVVXRPVLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F3N4O2/c1-16-11-17(2)13-19(12-16)25(36)33-20-7-8-24-22(14-20)26(37)35(27(34-24)28(29,30)31)10-9-18-15-32-23-6-4-3-5-21(18)23/h3-8,11-15,32H,9-10H2,1-2H3,(H,33,36).
What are the key properties of N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-(trifluoromethyl)quinazolin-6-yl]-3,5-dimethylbenzamide?
N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-(trifluoromethyl)quinazolin-6-yl]-3,5-dimethylbenzamide has a molecular weight of 504.51 g/mol, XLogP of 6.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-(trifluoromethyl)quinazolin-6-yl]-3,5-dimethylbenzamide is sourced from PubChem (CID 176910338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).