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

C80H113N9O7 — CID 159403162

IUPAC3-[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
SMILESCC.CC.CC.CC.CC.CC.CC.CC(=O)N1CCC(Oc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)CC1.Cc1nc2ccccc2c(=O)n1-c1ccc(OC2CCN(C3CC3)CC2)cc1.Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCC2)cc1
InChIInChI=1S/C23H25N3O2.C22H23N3O3.C21H23N3O2.7C2H6/c1-16-24-22-5-3-2-4-21(22)23(27)26(16)18-8-10-19(11-9-18)28-20-12-14-25(15-13-20)17-6-7-17;1-15-23-21-6-4-3-5-20(21)22(27)25(15)17-7-9-18(10-8-17)28-19-11-13-24(14-12-19)16(2)26;1-16-22-20-7-3-2-6-19(20)21(25)24(16)17-8-10-18(11-9-17)26-15-5-14-23-12-4-13-23;7*1-2/h2-5,8-11,17,20H,6-7,12-15H2,1H3;3-10,19H,11-14H2,1-2H3;2-3,6-11H,4-5,12-15H2,1H3;7*1-2H3
InChIKeyLNPODRASJVTVBK-UHFFFAOYSA-N
MW1312.84 g/mol
LogP17.14
Rot. Bonds13

About 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

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 (PubChem CID 159403162) has the molecular formula C80H113N9O7 and a molecular weight of 1312.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID159403162
Molecular FormulaC80H113N9O7
Molecular Weight1312.84 g/mol
Exact Mass1311.88
IUPAC Name3-[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
SMILESCC.CC.CC.CC.CC.CC.CC.CC(=O)N1CCC(Oc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)CC1.Cc1nc2ccccc2c(=O)n1-c1ccc(OC2CCN(C3CC3)CC2)cc1.Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCC2)cc1
InChIInChI=1S/C23H25N3O2.C22H23N3O3.C21H23N3O2.7C2H6/c1-16-24-22-5-3-2-4-21(22)23(27)26(16)18-8-10-19(11-9-18)28-20-12-14-25(15-13-20)17-6-7-17;1-15-23-21-6-4-3-5-20(21)22(27)25(15)17-7-9-18(10-8-17)28-19-11-13-24(14-12-19)16(2)26;1-16-22-20-7-3-2-6-19(20)21(25)24(16)17-8-10-18(11-9-17)26-15-5-14-23-12-4-13-23;7*1-2/h2-5,8-11,17,20H,6-7,12-15H2,1H3;3-10,19H,11-14H2,1-2H3;2-3,6-11H,4-5,12-15H2,1H3;7*1-2H3
InChIKeyLNPODRASJVTVBK-UHFFFAOYSA-N
XLogP17.14
TPSA159.15 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001312.84
LogP ≤ 517.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

3-[4-(1-acetylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one;ethane
CID 162117435
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one
CID 11501983
3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one
CID 11581919
tert-butyl 4-[4-(2-methyl-4-oxoquinazolin-3-yl)phenoxy]piperidine-1-carboxylate
CID 23151302
2,6-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11509385
5-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 23151336
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-7-fluoro-2-methylquinazolin-4-one
CID 23151327
3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-2-methylquinazolin-4-one
CID 23151162
2,5-dimethyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11667985
7-fluoro-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11596368
2-methyl-6-(3-methylphenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11583574
2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-8-(trifluoromethyl)quinazolin-4-one
CID 24951350

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC.CC.CC.CC.CC.CC.CC(=O)N1CCC(Oc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)CC1.Cc1nc2ccccc2c(=O)n1-c1ccc(OC2CCN(C3CC3)CC2)cc1.Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCC2)cc1.
What is the InChIKey of 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?
The InChIKey is LNPODRASJVTVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2.C22H23N3O3.C21H23N3O2.7C2H6/c1-16-24-22-5-3-2-4-21(22)23(27)26(16)18-8-10-19(11-9-18)28-20-12-14-25(15-13-20)17-6-7-17;1-15-23-21-6-4-3-5-20(21)22(27)25(15)17-7-9-18(10-8-17)28-19-11-13-24(14-12-19)16(2)26;1-16-22-20-7-3-2-6-19(20)21(25)24(16)17-8-10-18(11-9-17)26-15-5-14-23-12-4-13-23;7*1-2/h2-5,8-11,17,20H,6-7,12-15H2,1H3;3-10,19H,11-14H2,1-2H3;2-3,6-11H,4-5,12-15H2,1H3;7*1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1312.84 g/mol, XLogP of 17.14, 13 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159403162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).