3-[4-(1-acetylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one;ethane

C26H35N3O3 — CID 162117435

IUPAC3-[4-(1-acetylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one;ethane
SMILESCC.CC.CC(=O)N1CCC(Oc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)CC1
InChIInChI=1S/C22H23N3O3.2C2H6/c1-15-23-21-6-4-3-5-20(21)22(27)25(15)17-7-9-18(10-8-17)28-19-11-13-24(14-12-19)16(2)26;2*1-2/h3-10,19H,11-14H2,1-2H3;2*1-2H3
InChIKeyZGYMGKYDGJTFMN-UHFFFAOYSA-N
MW437.58 g/mol
LogP5.14
Rot. Bonds3

About 3-[4-(1-acetylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one;ethane

3-[4-(1-acetylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one;ethane (PubChem CID 162117435) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 3-[4-(1-acetylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one;ethane.

Molecular Properties

Compound Name3-[4-(1-acetylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one;ethane
PubChem CID162117435
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name3-[4-(1-acetylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one;ethane
SMILESCC.CC.CC(=O)N1CCC(Oc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)CC1
InChIInChI=1S/C22H23N3O3.2C2H6/c1-15-23-21-6-4-3-5-20(21)22(27)25(15)17-7-9-18(10-8-17)28-19-11-13-24(14-12-19)16(2)26;2*1-2/h3-10,19H,11-14H2,1-2H3;2*1-2H3
InChIKeyZGYMGKYDGJTFMN-UHFFFAOYSA-N
XLogP5.14
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.58
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-(1-acetylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one;ethane with MolForge

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Related Compounds

tert-butyl 4-[4-(2-methyl-4-oxoquinazolin-3-yl)phenoxy]piperidine-1-carboxylate
CID 23151302
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one
CID 11501983
3-[4-(1-acetylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one;3-[4-[3-(azetidin-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one;3-[4-(1-cyclopropylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one;ethane
CID 159403162
3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one
CID 126769930
3-[4-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one
CID 126787810
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-7-fluoro-2-methylquinazolin-4-one
CID 23151327
2-methyl-3-[4-(piperidine-1-carbonyl)phenyl]quinazolin-4-one
CID 17471641
3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-2-methylquinazolin-4-one
CID 23151162
N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 46392050
ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 744635
3-[4-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one
CID 126783335
3-[4-[(3S)-3-ethylpiperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one
CID 38906313

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-acetylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one;ethane?
The IUPAC name of 3-[4-(1-acetylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one;ethane (CID 162117435) is 3-[4-(1-acetylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one;ethane.
What is the SMILES notation for 3-[4-(1-acetylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one;ethane?
The canonical SMILES for 3-[4-(1-acetylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one;ethane is CC.CC.CC(=O)N1CCC(Oc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)CC1.
What is the InChIKey of 3-[4-(1-acetylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one;ethane?
The InChIKey is ZGYMGKYDGJTFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3.2C2H6/c1-15-23-21-6-4-3-5-20(21)22(27)25(15)17-7-9-18(10-8-17)28-19-11-13-24(14-12-19)16(2)26;2*1-2/h3-10,19H,11-14H2,1-2H3;2*1-2H3.
What are the key properties of 3-[4-(1-acetylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one;ethane?
3-[4-(1-acetylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one;ethane has a molecular weight of 437.58 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-acetylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one;ethane is sourced from PubChem (CID 162117435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).