(7-chloro-1,3-benzodioxol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

C18H16ClNO4 — CID 55600286

IUPAC(7-chloro-1,3-benzodioxol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1cccc2c1N(C(=O)c1cc(Cl)c3c(c1)OCO3)CCC2
InChIInChI=1S/C18H16ClNO4/c1-22-14-6-2-4-11-5-3-7-20(16(11)14)18(21)12-8-13(19)17-15(9-12)23-10-24-17/h2,4,6,8-9H,3,5,7,10H2,1H3
InChIKeyYPRMSMCMSLFPGP-UHFFFAOYSA-N
MW345.78 g/mol
LogP3.67
Rot. Bonds2

About (7-chloro-1,3-benzodioxol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

(7-chloro-1,3-benzodioxol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 55600286) has the molecular formula C18H16ClNO4 and a molecular weight of 345.78 g/mol. Its IUPAC name is (7-chloro-1,3-benzodioxol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(7-chloro-1,3-benzodioxol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID55600286
Molecular FormulaC18H16ClNO4
Molecular Weight345.78 g/mol
Exact Mass345.08
IUPAC Name(7-chloro-1,3-benzodioxol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1cccc2c1N(C(=O)c1cc(Cl)c3c(c1)OCO3)CCC2
InChIInChI=1S/C18H16ClNO4/c1-22-14-6-2-4-11-5-3-7-20(16(11)14)18(21)12-8-13(19)17-15(9-12)23-10-24-17/h2,4,6,8-9H,3,5,7,10H2,1H3
InChIKeyYPRMSMCMSLFPGP-UHFFFAOYSA-N
XLogP3.67
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.78
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-chloro-1,3-benzodioxol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (7-chloro-1,3-benzodioxol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 55600286) is (7-chloro-1,3-benzodioxol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (7-chloro-1,3-benzodioxol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (7-chloro-1,3-benzodioxol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is COc1cccc2c1N(C(=O)c1cc(Cl)c3c(c1)OCO3)CCC2.
What is the InChIKey of (7-chloro-1,3-benzodioxol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is YPRMSMCMSLFPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO4/c1-22-14-6-2-4-11-5-3-7-20(16(11)14)18(21)12-8-13(19)17-15(9-12)23-10-24-17/h2,4,6,8-9H,3,5,7,10H2,1H3.
What are the key properties of (7-chloro-1,3-benzodioxol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
(7-chloro-1,3-benzodioxol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 345.78 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1,3-benzodioxol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 55600286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).