N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methylquinoline-4-carboxamide

C20H18N2O3 — CID 3914317

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCC2COc3ccccc3O2)c2ccccc2n1
InChIInChI=1S/C20H18N2O3/c1-13-10-16(15-6-2-3-7-17(15)22-13)20(23)21-11-14-12-24-18-8-4-5-9-19(18)25-14/h2-10,14H,11-12H2,1H3,(H,21,23)
InChIKeyMULYRDALFJMAKM-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.11
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methylquinoline-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methylquinoline-4-carboxamide (PubChem CID 3914317) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methylquinoline-4-carboxamide
PubChem CID3914317
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCC2COc3ccccc3O2)c2ccccc2n1
InChIInChI=1S/C20H18N2O3/c1-13-10-16(15-6-2-3-7-17(15)22-13)20(23)21-11-14-12-24-18-8-4-5-9-19(18)25-14/h2-10,14H,11-12H2,1H3,(H,21,23)
InChIKeyMULYRDALFJMAKM-UHFFFAOYSA-N
XLogP3.11
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methylquinoline-4-carboxamide (CID 3914317) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NCC2COc3ccccc3O2)c2ccccc2n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methylquinoline-4-carboxamide?
The InChIKey is MULYRDALFJMAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-13-10-16(15-6-2-3-7-17(15)22-13)20(23)21-11-14-12-24-18-8-4-5-9-19(18)25-14/h2-10,14H,11-12H2,1H3,(H,21,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methylquinoline-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methylquinoline-4-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.11, 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-3-ylmethyl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 3914317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).