3-[6-(2-acetamidoethoxy)-4-oxoquinazolin-3-yl]-N-cyclopropyl-4-methylbenzamide

C23H24N4O4 — CID 66919080

IUPAC3-[6-(2-acetamidoethoxy)-4-oxoquinazolin-3-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCC(=O)NCCOc1ccc2ncn(-c3cc(C(=O)NC4CC4)ccc3C)c(=O)c2c1
InChIInChI=1S/C23H24N4O4/c1-14-3-4-16(22(29)26-17-5-6-17)11-21(14)27-13-25-20-8-7-18(12-19(20)23(27)30)31-10-9-24-15(2)28/h3-4,7-8,11-13,17H,5-6,9-10H2,1-2H3,(H,24,28)(H,26,29)
InChIKeyWJAJSHFYWOTWBJ-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.10
Rot. Bonds7

About 3-[6-(2-acetamidoethoxy)-4-oxoquinazolin-3-yl]-N-cyclopropyl-4-methylbenzamide

3-[6-(2-acetamidoethoxy)-4-oxoquinazolin-3-yl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 66919080) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 3-[6-(2-acetamidoethoxy)-4-oxoquinazolin-3-yl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[6-(2-acetamidoethoxy)-4-oxoquinazolin-3-yl]-N-cyclopropyl-4-methylbenzamide
PubChem CID66919080
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name3-[6-(2-acetamidoethoxy)-4-oxoquinazolin-3-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCC(=O)NCCOc1ccc2ncn(-c3cc(C(=O)NC4CC4)ccc3C)c(=O)c2c1
InChIInChI=1S/C23H24N4O4/c1-14-3-4-16(22(29)26-17-5-6-17)11-21(14)27-13-25-20-8-7-18(12-19(20)23(27)30)31-10-9-24-15(2)28/h3-4,7-8,11-13,17H,5-6,9-10H2,1-2H3,(H,24,28)(H,26,29)
InChIKeyWJAJSHFYWOTWBJ-UHFFFAOYSA-N
XLogP2.10
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-[6-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918846
N-cyclopropyl-3-[6-(2-imidazol-1-ylethoxy)-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918934
N-cyclopropyl-4-methyl-3-[6-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]-4-oxoquinazolin-3-yl]benzamide
CID 11237052
N-cyclopropyl-4-methyl-3-[6-(1-methylpiperidin-4-yl)oxy-4-oxoquinazolin-3-yl]benzamide
CID 11316420
N-cyclopropyl-4-methyl-3-[6-[(3R)-1-methylpyrrolidin-3-yl]oxy-4-oxoquinazolin-3-yl]benzamide
CID 66918958
(3S)-3-[3-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-4-oxoquinazolin-6-yl]oxypyrrolidine-1-carboxylic acid
CID 66919096
N-cyclopropyl-3-[6-[1-(2-hydroxypropyl)piperidin-4-yl]oxy-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918938
N-cyclopropyl-3-[6-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]oxy-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918975
N-cyclopropyl-3-[6-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]oxy-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918995
tert-butyl [3-[3-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-4-oxoquinazolin-6-yl]oxypyrrolidin-1-yl] carbonate
CID 66918887
N-cyclopropyl-3-[6-[2-(dimethylamino)ethylsulfonyl]-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918993
N-cyclopropyl-4-methyl-3-[6-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinazolin-3-yl]benzamide
CID 11350585

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-acetamidoethoxy)-4-oxoquinazolin-3-yl]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[6-(2-acetamidoethoxy)-4-oxoquinazolin-3-yl]-N-cyclopropyl-4-methylbenzamide (CID 66919080) is 3-[6-(2-acetamidoethoxy)-4-oxoquinazolin-3-yl]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[6-(2-acetamidoethoxy)-4-oxoquinazolin-3-yl]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[6-(2-acetamidoethoxy)-4-oxoquinazolin-3-yl]-N-cyclopropyl-4-methylbenzamide is CC(=O)NCCOc1ccc2ncn(-c3cc(C(=O)NC4CC4)ccc3C)c(=O)c2c1.
What is the InChIKey of 3-[6-(2-acetamidoethoxy)-4-oxoquinazolin-3-yl]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is WJAJSHFYWOTWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-14-3-4-16(22(29)26-17-5-6-17)11-21(14)27-13-25-20-8-7-18(12-19(20)23(27)30)31-10-9-24-15(2)28/h3-4,7-8,11-13,17H,5-6,9-10H2,1-2H3,(H,24,28)(H,26,29).
What are the key properties of 3-[6-(2-acetamidoethoxy)-4-oxoquinazolin-3-yl]-N-cyclopropyl-4-methylbenzamide?
3-[6-(2-acetamidoethoxy)-4-oxoquinazolin-3-yl]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 420.47 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-acetamidoethoxy)-4-oxoquinazolin-3-yl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 66919080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).