3-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide

C23H26N4O3 — CID 50844530

IUPAC3-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide
SMILESCc1ccc(NC(=O)Cn2cnc3cc(C(=O)NCC(C)C)ccc3c2=O)c(C)c1
InChIInChI=1S/C23H26N4O3/c1-14(2)11-24-22(29)17-6-7-18-20(10-17)25-13-27(23(18)30)12-21(28)26-19-8-5-15(3)9-16(19)4/h5-10,13-14H,11-12H2,1-4H3,(H,24,29)(H,26,28)
InChIKeyYJBUZTOMEHRLEL-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.04
Rot. Bonds6

About 3-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide

3-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide (PubChem CID 50844530) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide.

Molecular Properties

Compound Name3-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide
PubChem CID50844530
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name3-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide
SMILESCc1ccc(NC(=O)Cn2cnc3cc(C(=O)NCC(C)C)ccc3c2=O)c(C)c1
InChIInChI=1S/C23H26N4O3/c1-14(2)11-24-22(29)17-6-7-18-20(10-17)25-13-27(23(18)30)12-21(28)26-19-8-5-15(3)9-16(19)4/h5-10,13-14H,11-12H2,1-4H3,(H,24,29)(H,26,28)
InChIKeyYJBUZTOMEHRLEL-UHFFFAOYSA-N
XLogP3.04
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-3-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-oxoquinazoline-7-carboxamide
CID 50844589
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-iodo-2-methylphenyl)acetamide
CID 27075653
N-[(2,4-dimethylphenyl)carbamoyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55308269
N-butyl-3-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxoquinazoline-7-carboxamide
CID 46397311
N-(2-chloro-4-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874794
N-(4-chloro-2-methylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 3475689
2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-(2,4-dimethylphenyl)acetamide
CID 39890863
4-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 49397345
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide
CID 40743532
N-(2,3-dimethylphenyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 40743513
3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide
CID 39314202
N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 43009851

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide?
The IUPAC name of 3-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide (CID 50844530) is 3-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide.
What is the SMILES notation for 3-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide?
The canonical SMILES for 3-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide is Cc1ccc(NC(=O)Cn2cnc3cc(C(=O)NCC(C)C)ccc3c2=O)c(C)c1.
What is the InChIKey of 3-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide?
The InChIKey is YJBUZTOMEHRLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-14(2)11-24-22(29)17-6-7-18-20(10-17)25-13-27(23(18)30)12-21(28)26-19-8-5-15(3)9-16(19)4/h5-10,13-14H,11-12H2,1-4H3,(H,24,29)(H,26,28).
What are the key properties of 3-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide?
3-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide is sourced from PubChem (CID 50844530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).