2-(4-oxoquinazolin-3-yl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide

C23H27N3O3 — CID 60533590

IUPAC2-(4-oxoquinazolin-3-yl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide
SMILESCC(CCc1ccc(OC(C)C)cc1)NC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C23H27N3O3/c1-16(2)29-19-12-10-18(11-13-19)9-8-17(3)25-22(27)14-26-15-24-21-7-5-4-6-20(21)23(26)28/h4-7,10-13,15-17H,8-9,14H2,1-3H3,(H,25,27)
InChIKeyANNAYNQQDBUCNI-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.32
Rot. Bonds8

About 2-(4-oxoquinazolin-3-yl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide

2-(4-oxoquinazolin-3-yl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide (PubChem CID 60533590) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(4-oxoquinazolin-3-yl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-oxoquinazolin-3-yl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide
PubChem CID60533590
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-(4-oxoquinazolin-3-yl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide
SMILESCC(CCc1ccc(OC(C)C)cc1)NC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C23H27N3O3/c1-16(2)29-19-12-10-18(11-13-19)9-8-17(3)25-22(27)14-26-15-24-21-7-5-4-6-20(21)23(26)28/h4-7,10-13,15-17H,8-9,14H2,1-3H3,(H,25,27)
InChIKeyANNAYNQQDBUCNI-UHFFFAOYSA-N
XLogP3.32
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-oxoquinazolin-3-yl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide with MolForge

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Related Compounds

N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 52509917
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
2-(4-oxoquinazolin-3-yl)-N-[(2S)-1-phenylpropan-2-yl]acetamide
CID 844929
N-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287364
N-[(2R)-octan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287384
2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 18147602
N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 55847584
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 51212553
2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide
CID 24542922
(2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid
CID 40742824
N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287316
N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]-2-pyrazol-1-ylacetamide
CID 94797701

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide?
The IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide (CID 60533590) is 2-(4-oxoquinazolin-3-yl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide.
What is the SMILES notation for 2-(4-oxoquinazolin-3-yl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide?
The canonical SMILES for 2-(4-oxoquinazolin-3-yl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide is CC(CCc1ccc(OC(C)C)cc1)NC(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of 2-(4-oxoquinazolin-3-yl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide?
The InChIKey is ANNAYNQQDBUCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-16(2)29-19-12-10-18(11-13-19)9-8-17(3)25-22(27)14-26-15-24-21-7-5-4-6-20(21)23(26)28/h4-7,10-13,15-17H,8-9,14H2,1-3H3,(H,25,27).
What are the key properties of 2-(4-oxoquinazolin-3-yl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide?
2-(4-oxoquinazolin-3-yl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide has a molecular weight of 393.49 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoquinazolin-3-yl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide is sourced from PubChem (CID 60533590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).