N-(1,3-dimethyl-2-oxoquinolin-6-yl)-3,4-dihydro-1H-isochromene-5-carboxamide

C21H20N2O3 — CID 166336635

IUPACN-(1,3-dimethyl-2-oxoquinolin-6-yl)-3,4-dihydro-1H-isochromene-5-carboxamide
SMILESCc1cc2cc(NC(=O)c3cccc4c3CCOC4)ccc2n(C)c1=O
InChIInChI=1S/C21H20N2O3/c1-13-10-15-11-16(6-7-19(15)23(2)21(13)25)22-20(24)18-5-3-4-14-12-26-9-8-17(14)18/h3-7,10-11H,8-9,12H2,1-2H3,(H,22,24)
InChIKeyXJPRWCWOVSBJCE-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.17
Rot. Bonds2

About N-(1,3-dimethyl-2-oxoquinolin-6-yl)-3,4-dihydro-1H-isochromene-5-carboxamide

N-(1,3-dimethyl-2-oxoquinolin-6-yl)-3,4-dihydro-1H-isochromene-5-carboxamide (PubChem CID 166336635) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxoquinolin-6-yl)-3,4-dihydro-1H-isochromene-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxoquinolin-6-yl)-3,4-dihydro-1H-isochromene-5-carboxamide
PubChem CID166336635
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-(1,3-dimethyl-2-oxoquinolin-6-yl)-3,4-dihydro-1H-isochromene-5-carboxamide
SMILESCc1cc2cc(NC(=O)c3cccc4c3CCOC4)ccc2n(C)c1=O
InChIInChI=1S/C21H20N2O3/c1-13-10-15-11-16(6-7-19(15)23(2)21(13)25)22-20(24)18-5-3-4-14-12-26-9-8-17(14)18/h3-7,10-11H,8-9,12H2,1-2H3,(H,22,24)
InChIKeyXJPRWCWOVSBJCE-UHFFFAOYSA-N
XLogP3.17
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxoquinolin-6-yl)-3,4-dihydro-1H-isochromene-5-carboxamide?
The IUPAC name of N-(1,3-dimethyl-2-oxoquinolin-6-yl)-3,4-dihydro-1H-isochromene-5-carboxamide (CID 166336635) is N-(1,3-dimethyl-2-oxoquinolin-6-yl)-3,4-dihydro-1H-isochromene-5-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxoquinolin-6-yl)-3,4-dihydro-1H-isochromene-5-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxoquinolin-6-yl)-3,4-dihydro-1H-isochromene-5-carboxamide is Cc1cc2cc(NC(=O)c3cccc4c3CCOC4)ccc2n(C)c1=O.
What is the InChIKey of N-(1,3-dimethyl-2-oxoquinolin-6-yl)-3,4-dihydro-1H-isochromene-5-carboxamide?
The InChIKey is XJPRWCWOVSBJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-13-10-15-11-16(6-7-19(15)23(2)21(13)25)22-20(24)18-5-3-4-14-12-26-9-8-17(14)18/h3-7,10-11H,8-9,12H2,1-2H3,(H,22,24).
What are the key properties of N-(1,3-dimethyl-2-oxoquinolin-6-yl)-3,4-dihydro-1H-isochromene-5-carboxamide?
N-(1,3-dimethyl-2-oxoquinolin-6-yl)-3,4-dihydro-1H-isochromene-5-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxoquinolin-6-yl)-3,4-dihydro-1H-isochromene-5-carboxamide is sourced from PubChem (CID 166336635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).