N-quinolin-8-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C18H14N2O3 — CID 834644

IUPACN-quinolin-8-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H14N2O3/c21-18(13-6-7-15-16(11-13)23-10-9-22-15)20-14-5-1-3-12-4-2-8-19-17(12)14/h1-8,11H,9-10H2,(H,20,21)
InChIKeyYBWAKQQAZVXWQD-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.26
Rot. Bonds2

About N-quinolin-8-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-quinolin-8-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 834644) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-quinolin-8-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-quinolin-8-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID834644
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC NameN-quinolin-8-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H14N2O3/c21-18(13-6-7-15-16(11-13)23-10-9-22-15)20-14-5-1-3-12-4-2-8-19-17(12)14/h1-8,11H,9-10H2,(H,20,21)
InChIKeyYBWAKQQAZVXWQD-UHFFFAOYSA-N
XLogP3.26
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-quinolin-8-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-quinolin-8-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 834644) is N-quinolin-8-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-quinolin-8-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-quinolin-8-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is O=C(Nc1cccc2cccnc12)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-quinolin-8-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is YBWAKQQAZVXWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-18(13-6-7-15-16(11-13)23-10-9-22-15)20-14-5-1-3-12-4-2-8-19-17(12)14/h1-8,11H,9-10H2,(H,20,21).
What are the key properties of N-quinolin-8-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-quinolin-8-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-8-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 834644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).