N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide

C29H25F7N4O2 — CID 42723314

IUPACN-[2-(dimethylamino)ethyl]-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCC(c1nc2ccccc2c(=O)n1-c1ccccc1F)N(CCN(C)C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C29H25F7N4O2/c1-17(25-37-23-10-6-4-8-21(23)27(42)40(25)24-11-7-5-9-22(24)30)39(13-12-38(2)3)26(41)18-14-19(28(31,32)33)16-20(15-18)29(34,35)36/h4-11,14-17H,12-13H2,1-3H3
InChIKeyFGGGXMIZQQQXLM-UHFFFAOYSA-N
MW594.53 g/mol
LogP6.33
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide

N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 42723314) has the molecular formula C29H25F7N4O2 and a molecular weight of 594.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID42723314
Molecular FormulaC29H25F7N4O2
Molecular Weight594.53 g/mol
Exact Mass594.19
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCC(c1nc2ccccc2c(=O)n1-c1ccccc1F)N(CCN(C)C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C29H25F7N4O2/c1-17(25-37-23-10-6-4-8-21(23)27(42)40(25)24-11-7-5-9-22(24)30)39(13-12-38(2)3)26(41)18-14-19(28(31,32)33)16-20(15-18)29(34,35)36/h4-11,14-17H,12-13H2,1-3H3
InChIKeyFGGGXMIZQQQXLM-UHFFFAOYSA-N
XLogP6.33
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.53
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-fluoro-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42722955
N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 42718352
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide
CID 42711320
N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide
CID 42721445
N-(6-aminohexyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 3902636
3-(2,4-difluorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42721329
N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-nitrobenzamide
CID 42722847
N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]pentanamide
CID 42721442
3-bromo-N-[2-(dimethylamino)ethyl]-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42721379
N-ethyl-2-fluoro-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42718224
3-tert-butyl-1-[2-(dimethylamino)ethyl]-1-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42716424
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 4012588

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide (CID 42723314) is N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide is CC(c1nc2ccccc2c(=O)n1-c1ccccc1F)N(CCN(C)C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is FGGGXMIZQQQXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F7N4O2/c1-17(25-37-23-10-6-4-8-21(23)27(42)40(25)24-11-7-5-9-22(24)30)39(13-12-38(2)3)26(41)18-14-19(28(31,32)33)16-20(15-18)29(34,35)36/h4-11,14-17H,12-13H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide?
N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 594.53 g/mol, XLogP of 6.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 42723314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).