N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide

C20H19F3N4O2 — CID 16573047

IUPACN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCN(C)c1ccc(C(F)(F)F)cc1NC(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C20H19F3N4O2/c1-26(2)17-8-7-13(20(21,22)23)11-16(17)25-18(28)9-10-27-12-24-15-6-4-3-5-14(15)19(27)29/h3-8,11-12H,9-10H2,1-2H3,(H,25,28)
InChIKeyDSEIZODPTBUAEH-UHFFFAOYSA-N
MW404.39 g/mol
LogP3.51
Rot. Bonds5

About N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide

N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 16573047) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID16573047
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC NameN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCN(C)c1ccc(C(F)(F)F)cc1NC(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C20H19F3N4O2/c1-26(2)17-8-7-13(20(21,22)23)11-16(17)25-18(28)9-10-27-12-24-15-6-4-3-5-14(15)19(27)29/h3-8,11-12H,9-10H2,1-2H3,(H,25,28)
InChIKeyDSEIZODPTBUAEH-UHFFFAOYSA-N
XLogP3.51
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-4-(trifluoromethyl)phenyl]carbamate
CID 55969603
3-(4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
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N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 55380801
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CID 43040075
N-(2-acetamido-5-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 131906477
N-[2-(difluoromethoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 27147340
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propanamide
CID 46691307
N-(4-tert-butylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 34756761
N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4905328
3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 26835382
3-(4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide
CID 52546822
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 39724893

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide (CID 16573047) is N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide is CN(C)c1ccc(C(F)(F)F)cc1NC(=O)CCn1cnc2ccccc2c1=O.
What is the InChIKey of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is DSEIZODPTBUAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-26(2)17-8-7-13(20(21,22)23)11-16(17)25-18(28)9-10-27-12-24-15-6-4-3-5-14(15)19(27)29/h3-8,11-12H,9-10H2,1-2H3,(H,25,28).
What are the key properties of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide?
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 404.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 16573047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).