N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide

C25H26N2O5 — CID 42796854

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide
SMILESCC1(C)OCC(CN(Cc2ccc3c(c2)OCCO3)C(=O)c2ccc3ccccc3n2)O1
InChIInChI=1S/C25H26N2O5/c1-25(2)31-16-19(32-25)15-27(14-17-7-10-22-23(13-17)30-12-11-29-22)24(28)21-9-8-18-5-3-4-6-20(18)26-21/h3-10,13,19H,11-12,14-16H2,1-2H3
InChIKeyAQZPQKKHWYIETD-UHFFFAOYSA-N
MW434.49 g/mol
LogP3.80
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide (PubChem CID 42796854) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide
PubChem CID42796854
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide
SMILESCC1(C)OCC(CN(Cc2ccc3c(c2)OCCO3)C(=O)c2ccc3ccccc3n2)O1
InChIInChI=1S/C25H26N2O5/c1-25(2)31-16-19(32-25)15-27(14-17-7-10-22-23(13-17)30-12-11-29-22)24(28)21-9-8-18-5-3-4-6-20(18)26-21/h3-10,13,19H,11-12,14-16H2,1-2H3
InChIKeyAQZPQKKHWYIETD-UHFFFAOYSA-N
XLogP3.80
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 42784651
N-(1,3-benzodioxol-5-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 42784653
N-(1,3-benzodioxol-5-ylmethyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]quinoline-2-carboxamide
CID 42796893
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylquinoline-2-carboxamide
CID 18190249
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-[(2-phenylpyrazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 42791830
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,6-dimethylpyridine-2-carboxamide
CID 35701637
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]quinoline-2-carboxamide
CID 18115688
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 42784713
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylquinoline-2-carboxamide
CID 9482645
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl quinoline-2-carboxylate
CID 9291598
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylquinoline-4-carboxamide
CID 32520142
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyridine-2-carboxamide
CID 103762618

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide (CID 42796854) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide is CC1(C)OCC(CN(Cc2ccc3c(c2)OCCO3)C(=O)c2ccc3ccccc3n2)O1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide?
The InChIKey is AQZPQKKHWYIETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-25(2)31-16-19(32-25)15-27(14-17-7-10-22-23(13-17)30-12-11-29-22)24(28)21-9-8-18-5-3-4-6-20(18)26-21/h3-10,13,19H,11-12,14-16H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide has a molecular weight of 434.49 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide is sourced from PubChem (CID 42796854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).