8-(1,3-benzodioxol-5-yl)-5-[3-(dimethylamino)propyl]-[1,3]dioxolo[4,5-g]quinazolin-6-one

C21H21N3O5 — CID 23505711

IUPAC8-(1,3-benzodioxol-5-yl)-5-[3-(dimethylamino)propyl]-[1,3]dioxolo[4,5-g]quinazolin-6-one
SMILESCN(C)CCCn1c(=O)nc(-c2ccc3c(c2)OCO3)c2cc3c(cc21)OCO3
InChIInChI=1S/C21H21N3O5/c1-23(2)6-3-7-24-15-10-19-18(28-12-29-19)9-14(15)20(22-21(24)25)13-4-5-16-17(8-13)27-11-26-16/h4-5,8-10H,3,6-7,11-12H2,1-2H3
InChIKeyCJPWOWVSLSOWCY-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.47
Rot. Bonds5

About 8-(1,3-benzodioxol-5-yl)-5-[3-(dimethylamino)propyl]-[1,3]dioxolo[4,5-g]quinazolin-6-one

8-(1,3-benzodioxol-5-yl)-5-[3-(dimethylamino)propyl]-[1,3]dioxolo[4,5-g]quinazolin-6-one (PubChem CID 23505711) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is 8-(1,3-benzodioxol-5-yl)-5-[3-(dimethylamino)propyl]-[1,3]dioxolo[4,5-g]quinazolin-6-one.

Molecular Properties

Compound Name8-(1,3-benzodioxol-5-yl)-5-[3-(dimethylamino)propyl]-[1,3]dioxolo[4,5-g]quinazolin-6-one
PubChem CID23505711
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name8-(1,3-benzodioxol-5-yl)-5-[3-(dimethylamino)propyl]-[1,3]dioxolo[4,5-g]quinazolin-6-one
SMILESCN(C)CCCn1c(=O)nc(-c2ccc3c(c2)OCO3)c2cc3c(cc21)OCO3
InChIInChI=1S/C21H21N3O5/c1-23(2)6-3-7-24-15-10-19-18(28-12-29-19)9-14(15)20(22-21(24)25)13-4-5-16-17(8-13)27-11-26-16/h4-5,8-10H,3,6-7,11-12H2,1-2H3
InChIKeyCJPWOWVSLSOWCY-UHFFFAOYSA-N
XLogP2.47
TPSA75.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-(1,3-benzodioxol-5-yl)-5-[3-(dimethylamino)propyl]-[1,3]dioxolo[4,5-g]quinazolin-6-one with MolForge

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Related Compounds

5-(1-Methylethyl)-8-phenyl-1,3-dioxolo(4,5-g)quinazolin-6(5H)-one
CID 36331
1,3-Dioxolo(4,5-g)quinazolin-6(5H)-one, 8-(3-fluorophenyl)-5-(1-methylethyl)-
CID 36330
1-Isopropyl-4-(p-fluorophenyl)-6,7-methylenedioxy-2(1H)-quinazolinone
CID 36337
N-(6-Oxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinolin-7-ylmethyl)-N-phenethyl-propionamide
CID 3194310
1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea
CID 3213516
1-{6-[4-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-benzo[1,3]dioxol-5-yl}-3-(3-methoxy-phenyl)-urea
CID 10917990
1-Benzo[1,3]dioxol-5-yl-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-urea
CID 44356726
7,8-dimethoxy-1-methyl-5-[(E)-2-phenylethenyl]-3H-1,4-benzodiazepin-2-one
CID 9902314
1-(1,3-Benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)urea
CID 24818584
1-(1,3-Benzodioxol-5-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 970293
7,8-dimethoxy-1-methyl-5-(2-phenylethyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CID 9945802
1-isopropyl-4-phenyl-6,7-methylenedioxy-3,4-dihydro-2(1H)-quinazolinone
CID 12789469

Frequently Asked Questions

What is the IUPAC name of 8-(1,3-benzodioxol-5-yl)-5-[3-(dimethylamino)propyl]-[1,3]dioxolo[4,5-g]quinazolin-6-one?
The IUPAC name of 8-(1,3-benzodioxol-5-yl)-5-[3-(dimethylamino)propyl]-[1,3]dioxolo[4,5-g]quinazolin-6-one (CID 23505711) is 8-(1,3-benzodioxol-5-yl)-5-[3-(dimethylamino)propyl]-[1,3]dioxolo[4,5-g]quinazolin-6-one.
What is the SMILES notation for 8-(1,3-benzodioxol-5-yl)-5-[3-(dimethylamino)propyl]-[1,3]dioxolo[4,5-g]quinazolin-6-one?
The canonical SMILES for 8-(1,3-benzodioxol-5-yl)-5-[3-(dimethylamino)propyl]-[1,3]dioxolo[4,5-g]quinazolin-6-one is CN(C)CCCn1c(=O)nc(-c2ccc3c(c2)OCO3)c2cc3c(cc21)OCO3.
What is the InChIKey of 8-(1,3-benzodioxol-5-yl)-5-[3-(dimethylamino)propyl]-[1,3]dioxolo[4,5-g]quinazolin-6-one?
The InChIKey is CJPWOWVSLSOWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-23(2)6-3-7-24-15-10-19-18(28-12-29-19)9-14(15)20(22-21(24)25)13-4-5-16-17(8-13)27-11-26-16/h4-5,8-10H,3,6-7,11-12H2,1-2H3.
What are the key properties of 8-(1,3-benzodioxol-5-yl)-5-[3-(dimethylamino)propyl]-[1,3]dioxolo[4,5-g]quinazolin-6-one?
8-(1,3-benzodioxol-5-yl)-5-[3-(dimethylamino)propyl]-[1,3]dioxolo[4,5-g]quinazolin-6-one has a molecular weight of 395.42 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-benzodioxol-5-yl)-5-[3-(dimethylamino)propyl]-[1,3]dioxolo[4,5-g]quinazolin-6-one is sourced from PubChem (CID 23505711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).