(2-methoxyphenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone

C20H20N4O2 — CID 32880632

IUPAC(2-methoxyphenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C20H20N4O2/c1-26-18-9-5-3-7-16(18)20(25)24-12-10-23(11-13-24)19-15-6-2-4-8-17(15)21-14-22-19/h2-9,14H,10-13H2,1H3
InChIKeyLDVWUVFXVXCWQU-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.60
Rot. Bonds3

About (2-methoxyphenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone

(2-methoxyphenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone (PubChem CID 32880632) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (2-methoxyphenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
PubChem CID32880632
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(2-methoxyphenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C20H20N4O2/c1-26-18-9-5-3-7-16(18)20(25)24-12-10-23(11-13-24)19-15-6-2-4-8-17(15)21-14-22-19/h2-9,14H,10-13H2,1H3
InChIKeyLDVWUVFXVXCWQU-UHFFFAOYSA-N
XLogP2.60
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxyphenyl)-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108755273
(2-methoxyphenyl)-[4-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]methanone
CID 29270084
(2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 70785001
3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one
CID 53131556
(2-methoxyphenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1072088
(2-methoxyphenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700331
[4-[3-(4-fluorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 1461980
2,2-dimethyl-1-(4-quinazolin-4-yl-1,4-diazepan-1-yl)propan-1-one
CID 171335913
2H-benzotriazol-5-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 56903524
tert-butyl 4-quinazolin-4-yl-1,4-diazepane-1-carboxylate
CID 69365805
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
3-(4-quinazolin-4-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 56911668

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-methoxyphenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone (CID 32880632) is (2-methoxyphenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methoxyphenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methoxyphenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone is COc1ccccc1C(=O)N1CCN(c2ncnc3ccccc23)CC1.
What is the InChIKey of (2-methoxyphenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone?
The InChIKey is LDVWUVFXVXCWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-26-18-9-5-3-7-16(18)20(25)24-12-10-23(11-13-24)19-15-6-2-4-8-17(15)21-14-22-19/h2-9,14H,10-13H2,1H3.
What are the key properties of (2-methoxyphenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone?
(2-methoxyphenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone has a molecular weight of 348.41 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 32880632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).