N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide

C23H20N4O2 — CID 30956722

IUPACN-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide
SMILESCN(C[C@H]1Cc2ccccc2O1)C(=O)c1cc(-c2cn[nH]c2)nc2ccccc12
InChIInChI=1S/C23H20N4O2/c1-27(14-17-10-15-6-2-5-9-22(15)29-17)23(28)19-11-21(16-12-24-25-13-16)26-20-8-4-3-7-18(19)20/h2-9,11-13,17H,10,14H2,1H3,(H,24,25)/t17-/m1/s1
InChIKeyVGRAUKFWPMIZCO-QGZVFWFLSA-N
MW384.44 g/mol
LogP3.70
Rot. Bonds4

About N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide

N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 30956722) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide
PubChem CID30956722
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide
SMILESCN(C[C@H]1Cc2ccccc2O1)C(=O)c1cc(-c2cn[nH]c2)nc2ccccc12
InChIInChI=1S/C23H20N4O2/c1-27(14-17-10-15-6-2-5-9-22(15)29-17)23(28)19-11-21(16-12-24-25-13-16)26-20-8-4-3-7-18(19)20/h2-9,11-13,17H,10,14H2,1H3,(H,24,25)/t17-/m1/s1
InChIKeyVGRAUKFWPMIZCO-QGZVFWFLSA-N
XLogP3.70
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-4-phenyl-1H-pyrazole-5-carboxamide
CID 99947024
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55358361
4-methyl-2-(1H-pyrazol-4-yl)quinoline
CID 170518667
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylpyrazolo[4,5-b]pyridine-6-carboxamide
CID 156586654
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide
CID 90652025
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-ethyl-N-methylpyrimidine-5-carboxamide
CID 95137985
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 95123892
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylimidazo[2,1-e]pyrazole-7-carboxamide
CID 50956664
N-benzyl-2-(3,4-dimethylphenyl)-N-methylquinoline-4-carboxamide
CID 995912
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-2-morpholin-4-ylbenzamide
CID 131922274
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide
CID 125161477
N-butyl-N-methyl-2-phenylquinoline-4-carboxamide
CID 27702629

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide (CID 30956722) is N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide is CN(C[C@H]1Cc2ccccc2O1)C(=O)c1cc(-c2cn[nH]c2)nc2ccccc12.
What is the InChIKey of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is VGRAUKFWPMIZCO-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-27(14-17-10-15-6-2-5-9-22(15)29-17)23(28)19-11-21(16-12-24-25-13-16)26-20-8-4-3-7-18(19)20/h2-9,11-13,17H,10,14H2,1H3,(H,24,25)/t17-/m1/s1.
What are the key properties of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide?
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 30956722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).