N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-(4-oxoquinazolin-3-yl)benzamide

C25H20Cl2N4O3 — CID 24553245

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-(4-oxoquinazolin-3-yl)benzamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C25H20Cl2N4O3/c1-2-30(14-22(32)29-23-19(26)7-5-8-20(23)27)24(33)16-10-12-17(13-11-16)31-15-28-21-9-4-3-6-18(21)25(31)34/h3-13,15H,2,14H2,1H3,(H,29,32)
InChIKeyUYEGIDYUKCALGR-UHFFFAOYSA-N
MW495.37 g/mol
LogP4.79
Rot. Bonds6

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-(4-oxoquinazolin-3-yl)benzamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-(4-oxoquinazolin-3-yl)benzamide (PubChem CID 24553245) has the molecular formula C25H20Cl2N4O3 and a molecular weight of 495.37 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-(4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-(4-oxoquinazolin-3-yl)benzamide
PubChem CID24553245
Molecular FormulaC25H20Cl2N4O3
Molecular Weight495.37 g/mol
Exact Mass494.09
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-(4-oxoquinazolin-3-yl)benzamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C25H20Cl2N4O3/c1-2-30(14-22(32)29-23-19(26)7-5-8-20(23)27)24(33)16-10-12-17(13-11-16)31-15-28-21-9-4-3-6-18(21)25(31)34/h3-13,15H,2,14H2,1H3,(H,29,32)
InChIKeyUYEGIDYUKCALGR-UHFFFAOYSA-N
XLogP4.79
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.37
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-(4-oxoquinazolin-3-yl)-N-propylbenzamide
CID 43020410
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenylmethoxybenzamide
CID 27744494
4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 25313738
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybenzamide
CID 25313751
N'-[4-(diethylamino)benzoyl]-4-(4-oxoquinazolin-3-yl)benzohydrazide
CID 24513988
N-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 29368993
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-(2,2,2-trifluoroethoxy)benzamide
CID 55607897
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide
CID 31713038
2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 34169565
3-[4-(dimethylamino)phenyl]quinazolin-4-one
CID 7719422
N,N-diethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 27892984
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-methyl-3-nitrobenzamide
CID 24553223

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-(4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-(4-oxoquinazolin-3-yl)benzamide (CID 24553245) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-(4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-(4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-(4-oxoquinazolin-3-yl)benzamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-(4-oxoquinazolin-3-yl)benzamide?
The InChIKey is UYEGIDYUKCALGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N4O3/c1-2-30(14-22(32)29-23-19(26)7-5-8-20(23)27)24(33)16-10-12-17(13-11-16)31-15-28-21-9-4-3-6-18(21)25(31)34/h3-13,15H,2,14H2,1H3,(H,29,32).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-(4-oxoquinazolin-3-yl)benzamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-(4-oxoquinazolin-3-yl)benzamide has a molecular weight of 495.37 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-(4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 24553245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).