2-[(3-imidazol-1-yl-4-methylpiperidin-1-yl)methyl]-3-methylquinazolin-4-one

C19H23N5O — CID 84593167

IUPAC2-[(3-imidazol-1-yl-4-methylpiperidin-1-yl)methyl]-3-methylquinazolin-4-one
SMILESCC1CCN(Cc2nc3ccccc3c(=O)n2C)CC1n1ccnc1
InChIInChI=1S/C19H23N5O/c1-14-7-9-23(11-17(14)24-10-8-20-13-24)12-18-21-16-6-4-3-5-15(16)19(25)22(18)2/h3-6,8,10,13-14,17H,7,9,11-12H2,1-2H3
InChIKeyDBTOSCYNIITNAU-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.21
Rot. Bonds3

About 2-[(3-imidazol-1-yl-4-methylpiperidin-1-yl)methyl]-3-methylquinazolin-4-one

2-[(3-imidazol-1-yl-4-methylpiperidin-1-yl)methyl]-3-methylquinazolin-4-one (PubChem CID 84593167) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-[(3-imidazol-1-yl-4-methylpiperidin-1-yl)methyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[(3-imidazol-1-yl-4-methylpiperidin-1-yl)methyl]-3-methylquinazolin-4-one
PubChem CID84593167
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-[(3-imidazol-1-yl-4-methylpiperidin-1-yl)methyl]-3-methylquinazolin-4-one
SMILESCC1CCN(Cc2nc3ccccc3c(=O)n2C)CC1n1ccnc1
InChIInChI=1S/C19H23N5O/c1-14-7-9-23(11-17(14)24-10-8-20-13-24)12-18-21-16-6-4-3-5-15(16)19(25)22(18)2/h3-6,8,10,13-14,17H,7,9,11-12H2,1-2H3
InChIKeyDBTOSCYNIITNAU-UHFFFAOYSA-N
XLogP2.21
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-imidazol-1-yl-4-methylpiperidin-1-yl)methyl]-3-methylquinazolin-4-one?
The IUPAC name of 2-[(3-imidazol-1-yl-4-methylpiperidin-1-yl)methyl]-3-methylquinazolin-4-one (CID 84593167) is 2-[(3-imidazol-1-yl-4-methylpiperidin-1-yl)methyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[(3-imidazol-1-yl-4-methylpiperidin-1-yl)methyl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[(3-imidazol-1-yl-4-methylpiperidin-1-yl)methyl]-3-methylquinazolin-4-one is CC1CCN(Cc2nc3ccccc3c(=O)n2C)CC1n1ccnc1.
What is the InChIKey of 2-[(3-imidazol-1-yl-4-methylpiperidin-1-yl)methyl]-3-methylquinazolin-4-one?
The InChIKey is DBTOSCYNIITNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-14-7-9-23(11-17(14)24-10-8-20-13-24)12-18-21-16-6-4-3-5-15(16)19(25)22(18)2/h3-6,8,10,13-14,17H,7,9,11-12H2,1-2H3.
What are the key properties of 2-[(3-imidazol-1-yl-4-methylpiperidin-1-yl)methyl]-3-methylquinazolin-4-one?
2-[(3-imidazol-1-yl-4-methylpiperidin-1-yl)methyl]-3-methylquinazolin-4-one has a molecular weight of 337.43 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-imidazol-1-yl-4-methylpiperidin-1-yl)methyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 84593167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).