N-[2-[(7-chloro-2-phenylquinazolin-4-yl)amino]ethyl]-4-(trifluoromethyl)benzamide

C24H18ClF3N4O — CID 42809231

IUPACN-[2-[(7-chloro-2-phenylquinazolin-4-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCCNc1nc(-c2ccccc2)nc2cc(Cl)ccc12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H18ClF3N4O/c25-18-10-11-19-20(14-18)31-21(15-4-2-1-3-5-15)32-22(19)29-12-13-30-23(33)16-6-8-17(9-7-16)24(26,27)28/h1-11,14H,12-13H2,(H,30,33)(H,29,31,32)
InChIKeyASCSWQMNPOWNFT-UHFFFAOYSA-N
MW470.88 g/mol
LogP5.81
Rot. Bonds6

About N-[2-[(7-chloro-2-phenylquinazolin-4-yl)amino]ethyl]-4-(trifluoromethyl)benzamide

N-[2-[(7-chloro-2-phenylquinazolin-4-yl)amino]ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 42809231) has the molecular formula C24H18ClF3N4O and a molecular weight of 470.88 g/mol. Its IUPAC name is N-[2-[(7-chloro-2-phenylquinazolin-4-yl)amino]ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(7-chloro-2-phenylquinazolin-4-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
PubChem CID42809231
Molecular FormulaC24H18ClF3N4O
Molecular Weight470.88 g/mol
Exact Mass470.11
IUPAC NameN-[2-[(7-chloro-2-phenylquinazolin-4-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCCNc1nc(-c2ccccc2)nc2cc(Cl)ccc12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H18ClF3N4O/c25-18-10-11-19-20(14-18)31-21(15-4-2-1-3-5-15)32-22(19)29-12-13-30-23(33)16-6-8-17(9-7-16)24(26,27)28/h1-11,14H,12-13H2,(H,30,33)(H,29,31,32)
InChIKeyASCSWQMNPOWNFT-UHFFFAOYSA-N
XLogP5.81
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.88
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 42809310
2,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496955
3-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]propanoic acid
CID 7728857
N-[2-[(4-methylphthalazin-1-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 24661939
3,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496972
7-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylquinazolin-4-amine
CID 68862663
N-[2-[(7-chloro-2-thiophen-2-ylquinazolin-4-yl)amino]ethyl]-3-methylbutanamide
CID 42809220
3-methyl-N-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]butanamide
CID 42809222
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-4-(2H-tetrazol-5-yl)benzamide
CID 33106435
4-chloro-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]benzamide
CID 137264161
N-[2-(4-chloroanilino)ethyl]benzamide
CID 15324175
N-[2-[(2-cyclopropylquinazolin-4-yl)amino]ethyl]-4-fluorobenzamide
CID 42809176

Frequently Asked Questions

What is the IUPAC name of N-[2-[(7-chloro-2-phenylquinazolin-4-yl)amino]ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[(7-chloro-2-phenylquinazolin-4-yl)amino]ethyl]-4-(trifluoromethyl)benzamide (CID 42809231) is N-[2-[(7-chloro-2-phenylquinazolin-4-yl)amino]ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[(7-chloro-2-phenylquinazolin-4-yl)amino]ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[(7-chloro-2-phenylquinazolin-4-yl)amino]ethyl]-4-(trifluoromethyl)benzamide is O=C(NCCNc1nc(-c2ccccc2)nc2cc(Cl)ccc12)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[(7-chloro-2-phenylquinazolin-4-yl)amino]ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is ASCSWQMNPOWNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF3N4O/c25-18-10-11-19-20(14-18)31-21(15-4-2-1-3-5-15)32-22(19)29-12-13-30-23(33)16-6-8-17(9-7-16)24(26,27)28/h1-11,14H,12-13H2,(H,30,33)(H,29,31,32).
What are the key properties of N-[2-[(7-chloro-2-phenylquinazolin-4-yl)amino]ethyl]-4-(trifluoromethyl)benzamide?
N-[2-[(7-chloro-2-phenylquinazolin-4-yl)amino]ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 470.88 g/mol, XLogP of 5.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(7-chloro-2-phenylquinazolin-4-yl)amino]ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 42809231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).