2-(6-chloro-4-oxoquinazolin-3-yl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethylacetamide

C21H20ClN3O4 — CID 8565140

IUPAC2-(6-chloro-4-oxoquinazolin-3-yl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethylacetamide
SMILESCCN(C[C@@H]1COc2ccccc2O1)C(=O)Cn1cnc2ccc(Cl)cc2c1=O
InChIInChI=1S/C21H20ClN3O4/c1-2-24(10-15-12-28-18-5-3-4-6-19(18)29-15)20(26)11-25-13-23-17-8-7-14(22)9-16(17)21(25)27/h3-9,13,15H,2,10-12H2,1H3/t15-/m1/s1
InChIKeyDVLKFTZSVOPFJM-OAHLLOKOSA-N
MW413.86 g/mol
LogP2.74
Rot. Bonds5

About 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethylacetamide

2-(6-chloro-4-oxoquinazolin-3-yl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethylacetamide (PubChem CID 8565140) has the molecular formula C21H20ClN3O4 and a molecular weight of 413.86 g/mol. Its IUPAC name is 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethylacetamide
PubChem CID8565140
Molecular FormulaC21H20ClN3O4
Molecular Weight413.86 g/mol
Exact Mass413.11
IUPAC Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethylacetamide
SMILESCCN(C[C@@H]1COc2ccccc2O1)C(=O)Cn1cnc2ccc(Cl)cc2c1=O
InChIInChI=1S/C21H20ClN3O4/c1-2-24(10-15-12-28-18-5-3-4-6-19(18)29-15)20(26)11-25-13-23-17-8-7-14(22)9-16(17)21(25)27/h3-9,13,15H,2,10-12H2,1H3/t15-/m1/s1
InChIKeyDVLKFTZSVOPFJM-OAHLLOKOSA-N
XLogP2.74
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.86
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethylacetamide with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-3-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]quinazolin-4-one
CID 40987002
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 55526023
2-(6-chloro-4-oxoquinazolin-3-yl)-N-ethyl-N-naphthalen-1-ylacetamide
CID 30214253
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpropanamide
CID 43167892
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 2603996
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 8607699
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-ethylbutanamide
CID 40975189
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 9467255
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclopenten-1-yl)-N-methylacetamide
CID 53499149
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(1,3-dioxoisoindol-2-yl)-N-ethylpropanamide
CID 42904973
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylacetamide
CID 55402185
2-(6-chloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 7587513

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethylacetamide?
The IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethylacetamide (CID 8565140) is 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethylacetamide.
What is the SMILES notation for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethylacetamide?
The canonical SMILES for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethylacetamide is CCN(C[C@@H]1COc2ccccc2O1)C(=O)Cn1cnc2ccc(Cl)cc2c1=O.
What is the InChIKey of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethylacetamide?
The InChIKey is DVLKFTZSVOPFJM-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H20ClN3O4/c1-2-24(10-15-12-28-18-5-3-4-6-19(18)29-15)20(26)11-25-13-23-17-8-7-14(22)9-16(17)21(25)27/h3-9,13,15H,2,10-12H2,1H3/t15-/m1/s1.
What are the key properties of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethylacetamide?
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethylacetamide has a molecular weight of 413.86 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethylacetamide is sourced from PubChem (CID 8565140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).