2-methyl-8-[4-(1-methylpiperidin-4-yl)phenyl]-3H-quinazolin-4-one

C21H23N3O — CID 175783508

IUPAC2-methyl-8-[4-(1-methylpiperidin-4-yl)phenyl]-3H-quinazolin-4-one
SMILESCc1nc2c(-c3ccc(C4CCN(C)CC4)cc3)cccc2c(=O)[nH]1
InChIInChI=1S/C21H23N3O/c1-14-22-20-18(4-3-5-19(20)21(25)23-14)17-8-6-15(7-9-17)16-10-12-24(2)13-11-16/h3-9,16H,10-13H2,1-2H3,(H,22,23,25)
InChIKeyWADSSOQAOOPLNT-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.71
Rot. Bonds2

About 2-methyl-8-[4-(1-methylpiperidin-4-yl)phenyl]-3H-quinazolin-4-one

2-methyl-8-[4-(1-methylpiperidin-4-yl)phenyl]-3H-quinazolin-4-one (PubChem CID 175783508) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-methyl-8-[4-(1-methylpiperidin-4-yl)phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-8-[4-(1-methylpiperidin-4-yl)phenyl]-3H-quinazolin-4-one
PubChem CID175783508
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-methyl-8-[4-(1-methylpiperidin-4-yl)phenyl]-3H-quinazolin-4-one
SMILESCc1nc2c(-c3ccc(C4CCN(C)CC4)cc3)cccc2c(=O)[nH]1
InChIInChI=1S/C21H23N3O/c1-14-22-20-18(4-3-5-19(20)21(25)23-14)17-8-6-15(7-9-17)16-10-12-24(2)13-11-16/h3-9,16H,10-13H2,1-2H3,(H,22,23,25)
InChIKeyWADSSOQAOOPLNT-UHFFFAOYSA-N
XLogP3.71
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 130919
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CID 135566764
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CID 135426527
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CID 135460986
CID 135460986
CID 135443955
CID 135443955
CID 5377595
CID 5377595
CID 135405777
CID 135405777
CID 135446758
CID 135446758
CID 135580294
CID 135580294
CID 63248
CID 63248
CID 135399488
CID 135399488
CID 71811260
CID 71811260

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[4-(1-methylpiperidin-4-yl)phenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-methyl-8-[4-(1-methylpiperidin-4-yl)phenyl]-3H-quinazolin-4-one (CID 175783508) is 2-methyl-8-[4-(1-methylpiperidin-4-yl)phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-methyl-8-[4-(1-methylpiperidin-4-yl)phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-methyl-8-[4-(1-methylpiperidin-4-yl)phenyl]-3H-quinazolin-4-one is Cc1nc2c(-c3ccc(C4CCN(C)CC4)cc3)cccc2c(=O)[nH]1.
What is the InChIKey of 2-methyl-8-[4-(1-methylpiperidin-4-yl)phenyl]-3H-quinazolin-4-one?
The InChIKey is WADSSOQAOOPLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-14-22-20-18(4-3-5-19(20)21(25)23-14)17-8-6-15(7-9-17)16-10-12-24(2)13-11-16/h3-9,16H,10-13H2,1-2H3,(H,22,23,25).
What are the key properties of 2-methyl-8-[4-(1-methylpiperidin-4-yl)phenyl]-3H-quinazolin-4-one?
2-methyl-8-[4-(1-methylpiperidin-4-yl)phenyl]-3H-quinazolin-4-one has a molecular weight of 333.44 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[4-(1-methylpiperidin-4-yl)phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 175783508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).