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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Related Compounds

3-(3-imidazol-1-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 866363
N5,N11-Diethyl-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 453352
11H-Pyrido(2,1-b)quinazoline-8-carboxamide, N-(4-(1H-imidazol-1-yl)butyl)-2-(1-methylethyl)-11-oxo-, dihydrochloride
CID 24844985
8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one
CID 156596362
2-[2-(1-Methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-4(3h)-quinazolinone
CID 136147462
3-(3-Imidazol-1-ylpropyl)-2-methylquinazolin-4-one
CID 742176
phenyl(4-phenyl-4-(1-(1-phenylethyl)-1H-imidazol-2-yl)piperidin-1-yl)methanone
CID 11430490
2-Amino-5-chloro-N-(3-imidazol-1-yl-2-methyl-propyl)-benzamide
CID 13952745
2-Amino-N-(3-imidazol-1-yl-butyl)-5-methyl-benzamide
CID 13952764
2-hydroxy-3-[3-(1H-imidazol-1-yl)propyl]quinazolin-4(3H)-one
CID 13952769
3-(5-Imidazol-1-yl-pentyl)-1H-quinazoline-2,4-dione
CID 13952771
3-(3-Imidazol-1-yl-2-methyl-propyl)-1H-quinazoline-2,4-dione
CID 13952773

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).