N-[2-(dimethylamino)ethyl]-5-[(2,4-dioxoquinazolin-1-yl)methyl]-N-ethyl-2-methylbenzamide

C23H28N4O3 — CID 123312994

IUPACN-[2-(dimethylamino)ethyl]-5-[(2,4-dioxoquinazolin-1-yl)methyl]-N-ethyl-2-methylbenzamide
SMILESCCN(CCN(C)C)C(=O)c1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)ccc1C
InChIInChI=1S/C23H28N4O3/c1-5-26(13-12-25(3)4)22(29)19-14-17(11-10-16(19)2)15-27-20-9-7-6-8-18(20)21(28)24-23(27)30/h6-11,14H,5,12-13,15H2,1-4H3,(H,24,28,30)
InChIKeyIKGZFYLMHAABAA-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.07
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-5-[(2,4-dioxoquinazolin-1-yl)methyl]-N-ethyl-2-methylbenzamide

N-[2-(dimethylamino)ethyl]-5-[(2,4-dioxoquinazolin-1-yl)methyl]-N-ethyl-2-methylbenzamide (PubChem CID 123312994) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-[(2,4-dioxoquinazolin-1-yl)methyl]-N-ethyl-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-[(2,4-dioxoquinazolin-1-yl)methyl]-N-ethyl-2-methylbenzamide
PubChem CID123312994
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-[2-(dimethylamino)ethyl]-5-[(2,4-dioxoquinazolin-1-yl)methyl]-N-ethyl-2-methylbenzamide
SMILESCCN(CCN(C)C)C(=O)c1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)ccc1C
InChIInChI=1S/C23H28N4O3/c1-5-26(13-12-25(3)4)22(29)19-14-17(11-10-16(19)2)15-27-20-9-7-6-8-18(20)21(28)24-23(27)30/h6-11,14H,5,12-13,15H2,1-4H3,(H,24,28,30)
InChIKeyIKGZFYLMHAABAA-UHFFFAOYSA-N
XLogP2.07
TPSA78.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ketanserin
CID 3822
3-Propyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 4344644
Glycosmicine
CID 11788
2,3-Dihydro-2-(4-methylphenyl)-4(1H)-quinazolinone
CID 2818760
2,3-Dihydro-2-(3-methylphenyl)-4(1H)-quinazolinone
CID 292559
3-(2-Phenylethyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
CID 696887
2-(4-(dimethylamino)phenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 3157451
5-Fluoro-1-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-YL)butyl]quinazoline-2,4(1H,3H)-dione
CID 448890
trans-N-Benzyl-4-((1-((2-cyanophenyl)methyl)-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamide
CID 15993586
2-(4-Phenylphenyl)-1,2,3,4-tetrahydroquinazolin-4-one
CID 4793207
Nsc158383
CID 292556
3-ethylquinazoline-2,4(1H,3H)-dione
CID 747439

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-[(2,4-dioxoquinazolin-1-yl)methyl]-N-ethyl-2-methylbenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-[(2,4-dioxoquinazolin-1-yl)methyl]-N-ethyl-2-methylbenzamide (CID 123312994) is N-[2-(dimethylamino)ethyl]-5-[(2,4-dioxoquinazolin-1-yl)methyl]-N-ethyl-2-methylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-[(2,4-dioxoquinazolin-1-yl)methyl]-N-ethyl-2-methylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-[(2,4-dioxoquinazolin-1-yl)methyl]-N-ethyl-2-methylbenzamide is CCN(CCN(C)C)C(=O)c1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)ccc1C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-[(2,4-dioxoquinazolin-1-yl)methyl]-N-ethyl-2-methylbenzamide?
The InChIKey is IKGZFYLMHAABAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-5-26(13-12-25(3)4)22(29)19-14-17(11-10-16(19)2)15-27-20-9-7-6-8-18(20)21(28)24-23(27)30/h6-11,14H,5,12-13,15H2,1-4H3,(H,24,28,30).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-[(2,4-dioxoquinazolin-1-yl)methyl]-N-ethyl-2-methylbenzamide?
N-[2-(dimethylamino)ethyl]-5-[(2,4-dioxoquinazolin-1-yl)methyl]-N-ethyl-2-methylbenzamide has a molecular weight of 408.50 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-[(2,4-dioxoquinazolin-1-yl)methyl]-N-ethyl-2-methylbenzamide is sourced from PubChem (CID 123312994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).