3-(1-methylpiperidin-4-yl)-4-phenyl-1,4-dihydroquinazolin-2-one

C20H23N3O — CID 19423606

IUPAC3-(1-methylpiperidin-4-yl)-4-phenyl-1,4-dihydroquinazolin-2-one
SMILESCN1CCC(N2C(=O)Nc3ccccc3C2c2ccccc2)CC1
InChIInChI=1S/C20H23N3O/c1-22-13-11-16(12-14-22)23-19(15-7-3-2-4-8-15)17-9-5-6-10-18(17)21-20(23)24/h2-10,16,19H,11-14H2,1H3,(H,21,24)
InChIKeyFHINNNJVBLBKFB-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.72
Rot. Bonds2

About 3-(1-methylpiperidin-4-yl)-4-phenyl-1,4-dihydroquinazolin-2-one

3-(1-methylpiperidin-4-yl)-4-phenyl-1,4-dihydroquinazolin-2-one (PubChem CID 19423606) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-4-phenyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-4-phenyl-1,4-dihydroquinazolin-2-one
PubChem CID19423606
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name3-(1-methylpiperidin-4-yl)-4-phenyl-1,4-dihydroquinazolin-2-one
SMILESCN1CCC(N2C(=O)Nc3ccccc3C2c2ccccc2)CC1
InChIInChI=1S/C20H23N3O/c1-22-13-11-16(12-14-22)23-19(15-7-3-2-4-8-15)17-9-5-6-10-18(17)21-20(23)24/h2-10,16,19H,11-14H2,1H3,(H,21,24)
InChIKeyFHINNNJVBLBKFB-UHFFFAOYSA-N
XLogP3.72
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)-4-phenyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-4-phenyl-1,4-dihydroquinazolin-2-one (CID 19423606) is 3-(1-methylpiperidin-4-yl)-4-phenyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-4-phenyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-4-phenyl-1,4-dihydroquinazolin-2-one is CN1CCC(N2C(=O)Nc3ccccc3C2c2ccccc2)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-4-phenyl-1,4-dihydroquinazolin-2-one?
The InChIKey is FHINNNJVBLBKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-22-13-11-16(12-14-22)23-19(15-7-3-2-4-8-15)17-9-5-6-10-18(17)21-20(23)24/h2-10,16,19H,11-14H2,1H3,(H,21,24).
What are the key properties of 3-(1-methylpiperidin-4-yl)-4-phenyl-1,4-dihydroquinazolin-2-one?
3-(1-methylpiperidin-4-yl)-4-phenyl-1,4-dihydroquinazolin-2-one has a molecular weight of 321.42 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-4-phenyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 19423606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).