8-(3-methoxyphenyl)-5-propan-2-yl-[1,3]dioxolo[4,5-g]quinazolin-6-one

C19H18N2O4 — CID 12789489

IUPAC8-(3-methoxyphenyl)-5-propan-2-yl-[1,3]dioxolo[4,5-g]quinazolin-6-one
SMILESCOc1cccc(-c2nc(=O)n(C(C)C)c3cc4c(cc23)OCO4)c1
InChIInChI=1S/C19H18N2O4/c1-11(2)21-15-9-17-16(24-10-25-17)8-14(15)18(20-19(21)22)12-5-4-6-13(7-12)23-3/h4-9,11H,10H2,1-3H3
InChIKeyMQVHTSFXNCAGHZ-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.38
Rot. Bonds3

About 8-(3-methoxyphenyl)-5-propan-2-yl-[1,3]dioxolo[4,5-g]quinazolin-6-one

8-(3-methoxyphenyl)-5-propan-2-yl-[1,3]dioxolo[4,5-g]quinazolin-6-one (PubChem CID 12789489) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 8-(3-methoxyphenyl)-5-propan-2-yl-[1,3]dioxolo[4,5-g]quinazolin-6-one.

Molecular Properties

Compound Name8-(3-methoxyphenyl)-5-propan-2-yl-[1,3]dioxolo[4,5-g]quinazolin-6-one
PubChem CID12789489
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name8-(3-methoxyphenyl)-5-propan-2-yl-[1,3]dioxolo[4,5-g]quinazolin-6-one
SMILESCOc1cccc(-c2nc(=O)n(C(C)C)c3cc4c(cc23)OCO4)c1
InChIInChI=1S/C19H18N2O4/c1-11(2)21-15-9-17-16(24-10-25-17)8-14(15)18(20-19(21)22)12-5-4-6-13(7-12)23-3/h4-9,11H,10H2,1-3H3
InChIKeyMQVHTSFXNCAGHZ-UHFFFAOYSA-N
XLogP3.38
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(3-methoxyphenyl)-5-propan-2-yl-[1,3]dioxolo[4,5-g]quinazolin-6-one?
The IUPAC name of 8-(3-methoxyphenyl)-5-propan-2-yl-[1,3]dioxolo[4,5-g]quinazolin-6-one (CID 12789489) is 8-(3-methoxyphenyl)-5-propan-2-yl-[1,3]dioxolo[4,5-g]quinazolin-6-one.
What is the SMILES notation for 8-(3-methoxyphenyl)-5-propan-2-yl-[1,3]dioxolo[4,5-g]quinazolin-6-one?
The canonical SMILES for 8-(3-methoxyphenyl)-5-propan-2-yl-[1,3]dioxolo[4,5-g]quinazolin-6-one is COc1cccc(-c2nc(=O)n(C(C)C)c3cc4c(cc23)OCO4)c1.
What is the InChIKey of 8-(3-methoxyphenyl)-5-propan-2-yl-[1,3]dioxolo[4,5-g]quinazolin-6-one?
The InChIKey is MQVHTSFXNCAGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-11(2)21-15-9-17-16(24-10-25-17)8-14(15)18(20-19(21)22)12-5-4-6-13(7-12)23-3/h4-9,11H,10H2,1-3H3.
What are the key properties of 8-(3-methoxyphenyl)-5-propan-2-yl-[1,3]dioxolo[4,5-g]quinazolin-6-one?
8-(3-methoxyphenyl)-5-propan-2-yl-[1,3]dioxolo[4,5-g]quinazolin-6-one has a molecular weight of 338.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methoxyphenyl)-5-propan-2-yl-[1,3]dioxolo[4,5-g]quinazolin-6-one is sourced from PubChem (CID 12789489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).