(5-benzyl-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinolin-8-yl) carbamate

C19H20N2O4 — CID 66700220

IUPAC(5-benzyl-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinolin-8-yl) carbamate
SMILESCC1CC(OC(N)=O)c2cc3c(cc2N1Cc1ccccc1)OCO3
InChIInChI=1S/C19H20N2O4/c1-12-7-16(25-19(20)22)14-8-17-18(24-11-23-17)9-15(14)21(12)10-13-5-3-2-4-6-13/h2-6,8-9,12,16H,7,10-11H2,1H3,(H2,20,22)
InChIKeyYSTDFQOHCSLAQR-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.35
Rot. Bonds3

About (5-benzyl-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinolin-8-yl) carbamate

(5-benzyl-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinolin-8-yl) carbamate (PubChem CID 66700220) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (5-benzyl-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinolin-8-yl) carbamate.

Molecular Properties

Compound Name(5-benzyl-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinolin-8-yl) carbamate
PubChem CID66700220
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(5-benzyl-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinolin-8-yl) carbamate
SMILESCC1CC(OC(N)=O)c2cc3c(cc2N1Cc1ccccc1)OCO3
InChIInChI=1S/C19H20N2O4/c1-12-7-16(25-19(20)22)14-8-17-18(24-11-23-17)9-15(14)21(12)10-13-5-3-2-4-6-13/h2-6,8-9,12,16H,7,10-11H2,1H3,(H2,20,22)
InChIKeyYSTDFQOHCSLAQR-UHFFFAOYSA-N
XLogP3.35
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-benzyl-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinolin-8-yl) carbamate?
The IUPAC name of (5-benzyl-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinolin-8-yl) carbamate (CID 66700220) is (5-benzyl-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinolin-8-yl) carbamate.
What is the SMILES notation for (5-benzyl-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinolin-8-yl) carbamate?
The canonical SMILES for (5-benzyl-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinolin-8-yl) carbamate is CC1CC(OC(N)=O)c2cc3c(cc2N1Cc1ccccc1)OCO3.
What is the InChIKey of (5-benzyl-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinolin-8-yl) carbamate?
The InChIKey is YSTDFQOHCSLAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-7-16(25-19(20)22)14-8-17-18(24-11-23-17)9-15(14)21(12)10-13-5-3-2-4-6-13/h2-6,8-9,12,16H,7,10-11H2,1H3,(H2,20,22).
What are the key properties of (5-benzyl-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinolin-8-yl) carbamate?
(5-benzyl-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinolin-8-yl) carbamate has a molecular weight of 340.38 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzyl-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinolin-8-yl) carbamate is sourced from PubChem (CID 66700220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).