(10S)-10-(4-chlorophenyl)-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one

C20H16ClNO3 — CID 27879030

IUPAC(10S)-10-(4-chlorophenyl)-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one
SMILESO=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)c1cc3c(cc1N2)OCO3
InChIInChI=1S/C20H16ClNO3/c21-12-6-4-11(5-7-12)19-13-8-17-18(25-10-24-17)9-15(13)22-14-2-1-3-16(23)20(14)19/h4-9,19,22H,1-3,10H2/t19-/m0/s1
InChIKeyGUWSBGIYJVXDDU-IBGZPJMESA-N
MW353.81 g/mol
LogP4.63
Rot. Bonds1

About (10S)-10-(4-chlorophenyl)-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one

(10S)-10-(4-chlorophenyl)-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one (PubChem CID 27879030) has the molecular formula C20H16ClNO3 and a molecular weight of 353.81 g/mol. Its IUPAC name is (10S)-10-(4-chlorophenyl)-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one.

Molecular Properties

Compound Name(10S)-10-(4-chlorophenyl)-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one
PubChem CID27879030
Molecular FormulaC20H16ClNO3
Molecular Weight353.81 g/mol
Exact Mass353.08
IUPAC Name(10S)-10-(4-chlorophenyl)-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one
SMILESO=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)c1cc3c(cc1N2)OCO3
InChIInChI=1S/C20H16ClNO3/c21-12-6-4-11(5-7-12)19-13-8-17-18(25-10-24-17)9-15(13)22-14-2-1-3-16(23)20(14)19/h4-9,19,22H,1-3,10H2/t19-/m0/s1
InChIKeyGUWSBGIYJVXDDU-IBGZPJMESA-N
XLogP4.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (10S)-10-(4-chlorophenyl)-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10S)-10-(4-chlorophenyl)-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one?
The IUPAC name of (10S)-10-(4-chlorophenyl)-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one (CID 27879030) is (10S)-10-(4-chlorophenyl)-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one.
What is the SMILES notation for (10S)-10-(4-chlorophenyl)-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one?
The canonical SMILES for (10S)-10-(4-chlorophenyl)-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one is O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)c1cc3c(cc1N2)OCO3.
What is the InChIKey of (10S)-10-(4-chlorophenyl)-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one?
The InChIKey is GUWSBGIYJVXDDU-IBGZPJMESA-N. The full InChI is InChI=1S/C20H16ClNO3/c21-12-6-4-11(5-7-12)19-13-8-17-18(25-10-24-17)9-15(13)22-14-2-1-3-16(23)20(14)19/h4-9,19,22H,1-3,10H2/t19-/m0/s1.
What are the key properties of (10S)-10-(4-chlorophenyl)-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one?
(10S)-10-(4-chlorophenyl)-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one has a molecular weight of 353.81 g/mol, XLogP of 4.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-10-(4-chlorophenyl)-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one is sourced from PubChem (CID 27879030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).