2-(3,4-dimethylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide

C23H25N3O2 — CID 5074065

IUPAC2-(3,4-dimethylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NCC3CCCO3)c3ccccc3n2)cc1C
InChIInChI=1S/C23H25N3O2/c1-15-9-10-17(12-16(15)2)25-22-13-20(19-7-3-4-8-21(19)26-22)23(27)24-14-18-6-5-11-28-18/h3-4,7-10,12-13,18H,5-6,11,14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyKKSKMOURSKEMRB-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.50
Rot. Bonds5

About 2-(3,4-dimethylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide

2-(3,4-dimethylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide (PubChem CID 5074065) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
PubChem CID5074065
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-(3,4-dimethylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NCC3CCCO3)c3ccccc3n2)cc1C
InChIInChI=1S/C23H25N3O2/c1-15-9-10-17(12-16(15)2)25-22-13-20(19-7-3-4-8-21(19)26-22)23(27)24-14-18-6-5-11-28-18/h3-4,7-10,12-13,18H,5-6,11,14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyKKSKMOURSKEMRB-UHFFFAOYSA-N
XLogP4.50
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethoxyanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 122175007
2-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 25272573
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 3414776
2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 2886977
2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 1294028
2-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 2862861
6-(3-chloro-4-methylanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365928
2-(1,3-benzodioxol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 1028519
4-oxo-N-(oxolan-2-ylmethyl)-3H-quinazoline-2-carboxamide
CID 135629187
6-bromo-2-methyl-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 46291470
N-(oxolan-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]sulfanylquinoline-4-carboxamide
CID 4080455
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide (CID 5074065) is 2-(3,4-dimethylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide is Cc1ccc(Nc2cc(C(=O)NCC3CCCO3)c3ccccc3n2)cc1C.
What is the InChIKey of 2-(3,4-dimethylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide?
The InChIKey is KKSKMOURSKEMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15-9-10-17(12-16(15)2)25-22-13-20(19-7-3-4-8-21(19)26-22)23(27)24-14-18-6-5-11-28-18/h3-4,7-10,12-13,18H,5-6,11,14H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 2-(3,4-dimethylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide?
2-(3,4-dimethylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 5074065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).