1-[4-(7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-yl)piperazin-1-yl]-2-methylpropan-1-one

C18H22N4O3 — CID 35756851

IUPAC1-[4-(7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-yl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(c2ncnc3cc4c(cc23)OCCO4)CC1
InChIInChI=1S/C18H22N4O3/c1-12(2)18(23)22-5-3-21(4-6-22)17-13-9-15-16(25-8-7-24-15)10-14(13)19-11-20-17/h9-12H,3-8H2,1-2H3
InChIKeyPHQCHDUGULQLLA-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.71
Rot. Bonds2

About 1-[4-(7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-yl)piperazin-1-yl]-2-methylpropan-1-one

1-[4-(7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-yl)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 35756851) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[4-(7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-yl)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-yl)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID35756851
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-[4-(7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-yl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(c2ncnc3cc4c(cc23)OCCO4)CC1
InChIInChI=1S/C18H22N4O3/c1-12(2)18(23)22-5-3-21(4-6-22)17-13-9-15-16(25-8-7-24-15)10-14(13)19-11-20-17/h9-12H,3-8H2,1-2H3
InChIKeyPHQCHDUGULQLLA-UHFFFAOYSA-N
XLogP1.71
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-yl)piperazin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

4-(6,7-difluoroquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707660
1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110806206
2-[1-([1,3]dioxolo[4,5-g]quinazolin-8-yl)piperidin-4-yl]ethylphosphonic acid
CID 138468657
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553
1-[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 35757436
1-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110368732
4-morpholin-4-ylquinazoline-7-carboxylic acid
CID 1414121
4-(6-acetyl-7-bromoquinazolin-4-yl)piperazine-1-carboxylic acid
CID 155267423
4-(7-bromo-6-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 155267479
cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 171691630
N-(3-methylbutyl)-4-morpholin-4-ylquinazoline-6-carboxamide
CID 71842358
tert-butyl 4-[7-(difluoromethoxy)-6-fluoroquinazolin-4-yl]piperazine-1-carboxylate
CID 178126716

Frequently Asked Questions

What is the IUPAC name of 1-[4-(7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-yl)piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-yl)piperazin-1-yl]-2-methylpropan-1-one (CID 35756851) is 1-[4-(7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-yl)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-yl)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-yl)piperazin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCN(c2ncnc3cc4c(cc23)OCCO4)CC1.
What is the InChIKey of 1-[4-(7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-yl)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is PHQCHDUGULQLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12(2)18(23)22-5-3-21(4-6-22)17-13-9-15-16(25-8-7-24-15)10-14(13)19-11-20-17/h9-12H,3-8H2,1-2H3.
What are the key properties of 1-[4-(7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-yl)piperazin-1-yl]-2-methylpropan-1-one?
1-[4-(7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-yl)piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 342.40 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-yl)piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 35756851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).