5-propan-2-yl-8-pyridin-3-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one

C17H17N3O3 — CID 23505650

IUPAC5-propan-2-yl-8-pyridin-3-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one
SMILESCC(C)N1C(=O)NC(c2cccnc2)c2cc3c(cc21)OCO3
InChIInChI=1S/C17H17N3O3/c1-10(2)20-13-7-15-14(22-9-23-15)6-12(13)16(19-17(20)21)11-4-3-5-18-8-11/h3-8,10,16H,9H2,1-2H3,(H,19,21)
InChIKeyMRCQLUQBIKVNPY-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.84
Rot. Bonds2

About 5-propan-2-yl-8-pyridin-3-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one

5-propan-2-yl-8-pyridin-3-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one (PubChem CID 23505650) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 5-propan-2-yl-8-pyridin-3-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one.

Molecular Properties

Compound Name5-propan-2-yl-8-pyridin-3-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one
PubChem CID23505650
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name5-propan-2-yl-8-pyridin-3-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one
SMILESCC(C)N1C(=O)NC(c2cccnc2)c2cc3c(cc21)OCO3
InChIInChI=1S/C17H17N3O3/c1-10(2)20-13-7-15-14(22-9-23-15)6-12(13)16(19-17(20)21)11-4-3-5-18-8-11/h3-8,10,16H,9H2,1-2H3,(H,19,21)
InChIKeyMRCQLUQBIKVNPY-UHFFFAOYSA-N
XLogP2.84
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-8-pyridin-3-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one?
The IUPAC name of 5-propan-2-yl-8-pyridin-3-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one (CID 23505650) is 5-propan-2-yl-8-pyridin-3-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one.
What is the SMILES notation for 5-propan-2-yl-8-pyridin-3-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one?
The canonical SMILES for 5-propan-2-yl-8-pyridin-3-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one is CC(C)N1C(=O)NC(c2cccnc2)c2cc3c(cc21)OCO3.
What is the InChIKey of 5-propan-2-yl-8-pyridin-3-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one?
The InChIKey is MRCQLUQBIKVNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-10(2)20-13-7-15-14(22-9-23-15)6-12(13)16(19-17(20)21)11-4-3-5-18-8-11/h3-8,10,16H,9H2,1-2H3,(H,19,21).
What are the key properties of 5-propan-2-yl-8-pyridin-3-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one?
5-propan-2-yl-8-pyridin-3-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one has a molecular weight of 311.34 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-8-pyridin-3-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one is sourced from PubChem (CID 23505650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).