2-[(4-benzylpiperidin-1-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one

C23H27N3O3 — CID 135444021

IUPAC2-[(4-benzylpiperidin-1-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one
SMILESCOc1cc2nc(CN3CCC(Cc4ccccc4)CC3)[nH]c(=O)c2cc1OC
InChIInChI=1S/C23H27N3O3/c1-28-20-13-18-19(14-21(20)29-2)24-22(25-23(18)27)15-26-10-8-17(9-11-26)12-16-6-4-3-5-7-16/h3-7,13-14,17H,8-12,15H2,1-2H3,(H,24,25,27)
InChIKeyWIIGNNUIICEZPU-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.39
Rot. Bonds6

About 2-[(4-benzylpiperidin-1-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one

2-[(4-benzylpiperidin-1-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one (PubChem CID 135444021) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[(4-benzylpiperidin-1-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(4-benzylpiperidin-1-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one
PubChem CID135444021
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-[(4-benzylpiperidin-1-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one
SMILESCOc1cc2nc(CN3CCC(Cc4ccccc4)CC3)[nH]c(=O)c2cc1OC
InChIInChI=1S/C23H27N3O3/c1-28-20-13-18-19(14-21(20)29-2)24-22(25-23(18)27)15-26-10-8-17(9-11-26)12-16-6-4-3-5-7-16/h3-7,13-14,17H,8-12,15H2,1-2H3,(H,24,25,27)
InChIKeyWIIGNNUIICEZPU-UHFFFAOYSA-N
XLogP3.39
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-benzylpiperidin-1-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one with MolForge

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Related Compounds

D-709119
CID 9863862
(6aS)-2,3-dimethoxy-8-(4-methylphenyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 10882588
(6aS)-8-(4-ethylphenyl)-2,3-dimethoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 46907558
N-(6,7-dimethoxy-4-oxo-1,4-dihydroquinazolin-2-yl)benzamide
CID 135399549
2-(3,4-dimethoxyphenyl)-3H-quinazolin-4-one
CID 135484663
6,7-Dimethoxy-3H-quinazolin-4-one
CID 135495016
7-Benzyloxy-6-methoxy-3H-quinazolin-4-one
CID 135404718
7-Methoxy-6-(3-morpholin-4-yl-propoxy)-3H-quinazolin-4-one
CID 135399673
2-({2-[(3R)-3-aminopiperidin-1-yl]-6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)benzonitrile
CID 16658105
6,7-Dimethoxy-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-3H-quinazolin-4-one
CID 10478121
(6aS)-2,3-dimethoxy-8-[(E)-2-phenylethenyl]-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 46196691
(6aS)-2,3-dimethoxy-8-[4-(4-methylpiperazin-1-yl)phenyl]-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 46907349

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylpiperidin-1-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one?
The IUPAC name of 2-[(4-benzylpiperidin-1-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one (CID 135444021) is 2-[(4-benzylpiperidin-1-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(4-benzylpiperidin-1-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one?
The canonical SMILES for 2-[(4-benzylpiperidin-1-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one is COc1cc2nc(CN3CCC(Cc4ccccc4)CC3)[nH]c(=O)c2cc1OC.
What is the InChIKey of 2-[(4-benzylpiperidin-1-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one?
The InChIKey is WIIGNNUIICEZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-28-20-13-18-19(14-21(20)29-2)24-22(25-23(18)27)15-26-10-8-17(9-11-26)12-16-6-4-3-5-7-16/h3-7,13-14,17H,8-12,15H2,1-2H3,(H,24,25,27).
What are the key properties of 2-[(4-benzylpiperidin-1-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one?
2-[(4-benzylpiperidin-1-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one has a molecular weight of 393.49 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylpiperidin-1-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one is sourced from PubChem (CID 135444021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).