2-[[7-[3-(diethylamino)propyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]-N,N-diethylacetamide

C22H32N4O4S — CID 4062149

IUPAC2-[[7-[3-(diethylamino)propyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)CCCn1c(SCC(=O)N(CC)CC)nc2cc3c(cc2c1=O)OCO3
InChIInChI=1S/C22H32N4O4S/c1-5-24(6-2)10-9-11-26-21(28)16-12-18-19(30-15-29-18)13-17(16)23-22(26)31-14-20(27)25(7-3)8-4/h12-13H,5-11,14-15H2,1-4H3
InChIKeyOXOPKQWCOOTQHH-UHFFFAOYSA-N
MW448.59 g/mol
LogP2.82
Rot. Bonds11

About 2-[[7-[3-(diethylamino)propyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]-N,N-diethylacetamide

2-[[7-[3-(diethylamino)propyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]-N,N-diethylacetamide (PubChem CID 4062149) has the molecular formula C22H32N4O4S and a molecular weight of 448.59 g/mol. Its IUPAC name is 2-[[7-[3-(diethylamino)propyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[7-[3-(diethylamino)propyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]-N,N-diethylacetamide
PubChem CID4062149
Molecular FormulaC22H32N4O4S
Molecular Weight448.59 g/mol
Exact Mass448.21
IUPAC Name2-[[7-[3-(diethylamino)propyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)CCCn1c(SCC(=O)N(CC)CC)nc2cc3c(cc2c1=O)OCO3
InChIInChI=1S/C22H32N4O4S/c1-5-24(6-2)10-9-11-26-21(28)16-12-18-19(30-15-29-18)13-17(16)23-22(26)31-14-20(27)25(7-3)8-4/h12-13H,5-11,14-15H2,1-4H3
InChIKeyOXOPKQWCOOTQHH-UHFFFAOYSA-N
XLogP2.82
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[7-[3-(diethylamino)propyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]-N,N-diethylacetamide with MolForge

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Related Compounds

2-[[7-(1,3-benzodioxol-5-ylmethyl)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]-N,N-diethylacetamide
CID 3244143
N,N-diethyl-2-[[7-[(4-methoxyphenyl)methyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]acetamide
CID 4088092
2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 112777902
2-[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-N,N-diethylacetamide
CID 55309371
N-(1,3-benzodioxol-5-ylmethyl)-6-[6-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]hexanamide
CID 5323199
N,N-diethyl-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide
CID 1155414
2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide
CID 40727739
N-tert-butyl-2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 9375437
2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethyl-N-phenylacetamide
CID 51366834
2-(3-benzyl-6-bromo-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 2980769
N-(1,3-benzodioxol-5-ylmethyl)-6-[6-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]hexanamide
CID 46370015
N-butyl-2-[(3-butyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-ethylacetamide
CID 50927533

Frequently Asked Questions

What is the IUPAC name of 2-[[7-[3-(diethylamino)propyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]-N,N-diethylacetamide?
The IUPAC name of 2-[[7-[3-(diethylamino)propyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]-N,N-diethylacetamide (CID 4062149) is 2-[[7-[3-(diethylamino)propyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[7-[3-(diethylamino)propyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]-N,N-diethylacetamide?
The canonical SMILES for 2-[[7-[3-(diethylamino)propyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]-N,N-diethylacetamide is CCN(CC)CCCn1c(SCC(=O)N(CC)CC)nc2cc3c(cc2c1=O)OCO3.
What is the InChIKey of 2-[[7-[3-(diethylamino)propyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]-N,N-diethylacetamide?
The InChIKey is OXOPKQWCOOTQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4S/c1-5-24(6-2)10-9-11-26-21(28)16-12-18-19(30-15-29-18)13-17(16)23-22(26)31-14-20(27)25(7-3)8-4/h12-13H,5-11,14-15H2,1-4H3.
What are the key properties of 2-[[7-[3-(diethylamino)propyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]-N,N-diethylacetamide?
2-[[7-[3-(diethylamino)propyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]-N,N-diethylacetamide has a molecular weight of 448.59 g/mol, XLogP of 2.82, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[3-(diethylamino)propyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]-N,N-diethylacetamide is sourced from PubChem (CID 4062149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).