4-[2-[5,7-dimethyl-2,4-dioxo-3-[2-(trifluoromethyl)phenyl]quinazolin-1-yl]ethyl]-N-phenylpiperazine-1-carboxamide

C30H30F3N5O3 — CID 70495908

IUPAC4-[2-[5,7-dimethyl-2,4-dioxo-3-[2-(trifluoromethyl)phenyl]quinazolin-1-yl]ethyl]-N-phenylpiperazine-1-carboxamide
SMILESCc1cc(C)c2c(=O)n(-c3ccccc3C(F)(F)F)c(=O)n(CCN3CCN(C(=O)Nc4ccccc4)CC3)c2c1
InChIInChI=1S/C30H30F3N5O3/c1-20-18-21(2)26-25(19-20)37(29(41)38(27(26)39)24-11-7-6-10-23(24)30(31,32)33)17-14-35-12-15-36(16-13-35)28(40)34-22-8-4-3-5-9-22/h3-11,18-19H,12-17H2,1-2H3,(H,34,40)
InChIKeyRAWCVTQNHAXNCM-UHFFFAOYSA-N
MW565.60 g/mol
LogP4.64
Rot. Bonds5

About 4-[2-[5,7-dimethyl-2,4-dioxo-3-[2-(trifluoromethyl)phenyl]quinazolin-1-yl]ethyl]-N-phenylpiperazine-1-carboxamide

4-[2-[5,7-dimethyl-2,4-dioxo-3-[2-(trifluoromethyl)phenyl]quinazolin-1-yl]ethyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 70495908) has the molecular formula C30H30F3N5O3 and a molecular weight of 565.60 g/mol. Its IUPAC name is 4-[2-[5,7-dimethyl-2,4-dioxo-3-[2-(trifluoromethyl)phenyl]quinazolin-1-yl]ethyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[5,7-dimethyl-2,4-dioxo-3-[2-(trifluoromethyl)phenyl]quinazolin-1-yl]ethyl]-N-phenylpiperazine-1-carboxamide
PubChem CID70495908
Molecular FormulaC30H30F3N5O3
Molecular Weight565.60 g/mol
Exact Mass565.23
IUPAC Name4-[2-[5,7-dimethyl-2,4-dioxo-3-[2-(trifluoromethyl)phenyl]quinazolin-1-yl]ethyl]-N-phenylpiperazine-1-carboxamide
SMILESCc1cc(C)c2c(=O)n(-c3ccccc3C(F)(F)F)c(=O)n(CCN3CCN(C(=O)Nc4ccccc4)CC3)c2c1
InChIInChI=1S/C30H30F3N5O3/c1-20-18-21(2)26-25(19-20)37(29(41)38(27(26)39)24-11-7-6-10-23(24)30(31,32)33)17-14-35-12-15-36(16-13-35)28(40)34-22-8-4-3-5-9-22/h3-11,18-19H,12-17H2,1-2H3,(H,34,40)
InChIKeyRAWCVTQNHAXNCM-UHFFFAOYSA-N
XLogP4.64
TPSA79.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.60
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-[5,7-dimethyl-2,4-dioxo-3-[2-(trifluoromethyl)phenyl]quinazolin-1-yl]ethyl]-N-phenylpiperazine-1-carboxamide with MolForge

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Related Compounds

N-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113111479
N-(3-acetylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113114078
N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007
4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide
CID 17183789
4-(2-hydroxyphenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 86988121
4-(2,2-dimethylpropyl)-N-phenylpiperazine-1-carboxamide
CID 110290716
4-butyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17185767
N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 3810723
4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide
CID 110638151
4-butyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17185768
N-phenyl-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
CID 121094912
N-phenyl-4-prop-2-enylpiperazine-1-carboxamide
CID 23822231

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5,7-dimethyl-2,4-dioxo-3-[2-(trifluoromethyl)phenyl]quinazolin-1-yl]ethyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-[5,7-dimethyl-2,4-dioxo-3-[2-(trifluoromethyl)phenyl]quinazolin-1-yl]ethyl]-N-phenylpiperazine-1-carboxamide (CID 70495908) is 4-[2-[5,7-dimethyl-2,4-dioxo-3-[2-(trifluoromethyl)phenyl]quinazolin-1-yl]ethyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-[5,7-dimethyl-2,4-dioxo-3-[2-(trifluoromethyl)phenyl]quinazolin-1-yl]ethyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-[5,7-dimethyl-2,4-dioxo-3-[2-(trifluoromethyl)phenyl]quinazolin-1-yl]ethyl]-N-phenylpiperazine-1-carboxamide is Cc1cc(C)c2c(=O)n(-c3ccccc3C(F)(F)F)c(=O)n(CCN3CCN(C(=O)Nc4ccccc4)CC3)c2c1.
What is the InChIKey of 4-[2-[5,7-dimethyl-2,4-dioxo-3-[2-(trifluoromethyl)phenyl]quinazolin-1-yl]ethyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is RAWCVTQNHAXNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F3N5O3/c1-20-18-21(2)26-25(19-20)37(29(41)38(27(26)39)24-11-7-6-10-23(24)30(31,32)33)17-14-35-12-15-36(16-13-35)28(40)34-22-8-4-3-5-9-22/h3-11,18-19H,12-17H2,1-2H3,(H,34,40).
What are the key properties of 4-[2-[5,7-dimethyl-2,4-dioxo-3-[2-(trifluoromethyl)phenyl]quinazolin-1-yl]ethyl]-N-phenylpiperazine-1-carboxamide?
4-[2-[5,7-dimethyl-2,4-dioxo-3-[2-(trifluoromethyl)phenyl]quinazolin-1-yl]ethyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 565.60 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5,7-dimethyl-2,4-dioxo-3-[2-(trifluoromethyl)phenyl]quinazolin-1-yl]ethyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 70495908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).