[4-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone

C29H30N4O4 — CID 25056466

IUPAC[4-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2ccc3ncnc(-c4ccc(C(=O)N5CCN(C)CC5)c(OC)c4)c3c2)cc1OC
InChIInChI=1S/C29H30N4O4/c1-32-11-13-33(14-12-32)29(34)22-8-5-21(17-26(22)36-3)28-23-15-19(6-9-24(23)30-18-31-28)20-7-10-25(35-2)27(16-20)37-4/h5-10,15-18H,11-14H2,1-4H3
InChIKeyGOLYZRJDAWUHQL-UHFFFAOYSA-N
MW498.58 g/mol
LogP4.38
Rot. Bonds6

About [4-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone

[4-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 25056466) has the molecular formula C29H30N4O4 and a molecular weight of 498.58 g/mol. Its IUPAC name is [4-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID25056466
Molecular FormulaC29H30N4O4
Molecular Weight498.58 g/mol
Exact Mass498.23
IUPAC Name[4-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2ccc3ncnc(-c4ccc(C(=O)N5CCN(C)CC5)c(OC)c4)c3c2)cc1OC
InChIInChI=1S/C29H30N4O4/c1-32-11-13-33(14-12-32)29(34)22-8-5-21(17-26(22)36-3)28-23-15-19(6-9-24(23)30-18-31-28)20-7-10-25(35-2)27(16-20)37-4/h5-10,15-18H,11-14H2,1-4H3
InChIKeyGOLYZRJDAWUHQL-UHFFFAOYSA-N
XLogP4.38
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone with MolForge

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Related Compounds

2-methoxy-5-[4-[3-(4-methylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl]benzamide
CID 163497559
4-(3,4-dimethoxyphenyl)-6-[4-methoxy-3-(trifluoromethoxy)phenyl]quinazoline
CID 66616189
6-(3,4-dimethoxyphenyl)-4-phenylquinazoline
CID 25054917
6-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)quinazoline
CID 25054919
[3-(3,4-dimethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 43865320
[5-(3,4-dimethoxyphenyl)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 42845923
1-[(3S)-3-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]oxypyrrolidin-1-yl]ethanone
CID 134154582
methane;[3-[6-(2-methoxypyrimidin-5-yl)quinazolin-4-yl]phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 157494282
4-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 134258787
1-[3-[6-[4-methoxy-3-(trifluoromethyl)phenyl]quinazolin-4-yl]phenyl]ethanone
CID 123479114
(2-methoxyphenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 32880632
4-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carboxylic acid
CID 82306772

Frequently Asked Questions

What is the IUPAC name of [4-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone (CID 25056466) is [4-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone is COc1ccc(-c2ccc3ncnc(-c4ccc(C(=O)N5CCN(C)CC5)c(OC)c4)c3c2)cc1OC.
What is the InChIKey of [4-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is GOLYZRJDAWUHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O4/c1-32-11-13-33(14-12-32)29(34)22-8-5-21(17-26(22)36-3)28-23-15-19(6-9-24(23)30-18-31-28)20-7-10-25(35-2)27(16-20)37-4/h5-10,15-18H,11-14H2,1-4H3.
What are the key properties of [4-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone?
[4-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 498.58 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 25056466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).