6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]-4-phenyl-1,4-dihydroquinazolin-2-one

C26H30N4O2 — CID 86273098

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]-4-phenyl-1,4-dihydroquinazolin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC1CCN(C)CC1)C(=O)N2
InChIInChI=1S/C26H30N4O2/c1-17-24(18(2)32-28-17)21-9-10-23-22(15-21)25(20-7-5-4-6-8-20)30(26(31)27-23)16-19-11-13-29(3)14-12-19/h4-10,15,19,25H,11-14,16H2,1-3H3,(H,27,31)
InChIKeyQBKPNPMMQYLHFG-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.24
Rot. Bonds4

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]-4-phenyl-1,4-dihydroquinazolin-2-one

6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]-4-phenyl-1,4-dihydroquinazolin-2-one (PubChem CID 86273098) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]-4-phenyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]-4-phenyl-1,4-dihydroquinazolin-2-one
PubChem CID86273098
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]-4-phenyl-1,4-dihydroquinazolin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC1CCN(C)CC1)C(=O)N2
InChIInChI=1S/C26H30N4O2/c1-17-24(18(2)32-28-17)21-9-10-23-22(15-21)25(20-7-5-4-6-8-20)30(26(31)27-23)16-19-11-13-29(3)14-12-19/h4-10,15,19,25H,11-14,16H2,1-3H3,(H,27,31)
InChIKeyQBKPNPMMQYLHFG-UHFFFAOYSA-N
XLogP5.24
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]-4-phenyl-1,4-dihydroquinazolin-2-one with MolForge

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Related Compounds

N-(3,5-dimethylphenyl)-N'-[(5-methyl-3-phenyl-4-isoxazolyl)methyl]urea
CID 2738199
1-Cycloheptyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10622585
6-(3,5-Dimethyl-isoxazol-4-yl)-3-methyl-4-phenyl-3,4-dihydro-1H-quinazolin-2-one
CID 86273096
6-(3,5-Dimethyl-isoxazol-4-yl)-3,4-dimethyl-4-phenyl-3,4-dihydro-1H-quinazolin-2-one
CID 86273586
6-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-methyl-4-phenyl-3,4-dihydroquinazolin-2-one
CID 141488030
6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]butyl]-1-methyl-4-phenyl-4H-quinazolin-2-one
CID 141488032
5-[[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]acetyl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide
CID 141507289
3-[[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]acetyl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide
CID 141507290
6-[[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]acetyl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexanamide
CID 141507291
5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide
CID 141507294
4-[[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]acetyl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanamide
CID 141507296
8-[[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]acetyl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]octanamide
CID 141507297

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]-4-phenyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]-4-phenyl-1,4-dihydroquinazolin-2-one (CID 86273098) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]-4-phenyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]-4-phenyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]-4-phenyl-1,4-dihydroquinazolin-2-one is Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC1CCN(C)CC1)C(=O)N2.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]-4-phenyl-1,4-dihydroquinazolin-2-one?
The InChIKey is QBKPNPMMQYLHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-17-24(18(2)32-28-17)21-9-10-23-22(15-21)25(20-7-5-4-6-8-20)30(26(31)27-23)16-19-11-13-29(3)14-12-19/h4-10,15,19,25H,11-14,16H2,1-3H3,(H,27,31).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]-4-phenyl-1,4-dihydroquinazolin-2-one?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]-4-phenyl-1,4-dihydroquinazolin-2-one has a molecular weight of 430.55 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]-4-phenyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 86273098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).