N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-phenylquinoline-4-carboxamide

C25H20N2O3 — CID 1291065

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-phenylquinoline-4-carboxamide
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C25H20N2O3/c1-16-23(25(28)26-18-11-12-21-22(15-18)30-14-13-29-21)19-9-5-6-10-20(19)27-24(16)17-7-3-2-4-8-17/h2-12,15H,13-14H2,1H3,(H,26,28)
InChIKeyGZUMNWOQNQIJNH-UHFFFAOYSA-N
MW396.45 g/mol
LogP5.23
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-phenylquinoline-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-phenylquinoline-4-carboxamide (PubChem CID 1291065) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-phenylquinoline-4-carboxamide
PubChem CID1291065
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-phenylquinoline-4-carboxamide
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C25H20N2O3/c1-16-23(25(28)26-18-11-12-21-22(15-18)30-14-13-29-21)19-9-5-6-10-20(19)27-24(16)17-7-3-2-4-8-17/h2-12,15H,13-14H2,1H3,(H,26,28)
InChIKeyGZUMNWOQNQIJNH-UHFFFAOYSA-N
XLogP5.23
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 117996541
CID 117996541
N-(4-(2-(hydroxyamino)-2-oxoethyl)tetrahydro-2H-pyran-4-yl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 9868333
6-[(6,7-Dimethoxy-4-quinolinyl)oxy]-N-ethyl-1-naphthalenecarboxamide
CID 11486459
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide
CID 11487747
6-(6,7-Dimethoxyquinolin-4-yloxy)-N-p-tolylnaphthalene-1-carboxamide
CID 24822426
N-(4-ethoxyphenyl)-2-methoxyquinoline-4-carboxamide
CID 705265
3,4-dimethoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 1504527
2-(4-Ethoxyphenyl)-4-[(4-methylpiperazin-1-yl)carbonyl]quinoline
CID 1540951
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethoxy-2-methyl-4-quinolinamine hydrochloride
CID 2790768
(3,4-Dimethoxy-phenyl)-(2,8-dimethyl-quinolin-4-yl)-amine
CID 743489
N-cyclohexyl-2-isopropoxy-4-quinolinecarboxamide
CID 891858
2-methoxy-N-(4-methylphenyl)quinoline-4-carboxamide
CID 899162

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-phenylquinoline-4-carboxamide (CID 1291065) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-phenylquinoline-4-carboxamide is Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-phenylquinoline-4-carboxamide?
The InChIKey is GZUMNWOQNQIJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3/c1-16-23(25(28)26-18-11-12-21-22(15-18)30-14-13-29-21)19-9-5-6-10-20(19)27-24(16)17-7-3-2-4-8-17/h2-12,15H,13-14H2,1H3,(H,26,28).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-phenylquinoline-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-phenylquinoline-4-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 1291065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).