2,4-dimethyl-N-[2-(oxan-2-yl)ethyl]quinoline-3-carboxamide

C19H24N2O2 — CID 132971003

IUPAC2,4-dimethyl-N-[2-(oxan-2-yl)ethyl]quinoline-3-carboxamide
SMILESCc1nc2ccccc2c(C)c1C(=O)NCCC1CCCCO1
InChIInChI=1S/C19H24N2O2/c1-13-16-8-3-4-9-17(16)21-14(2)18(13)19(22)20-11-10-15-7-5-6-12-23-15/h3-4,8-9,15H,5-7,10-12H2,1-2H3,(H,20,22)
InChIKeyZXBIMHWTPSTORG-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.54
Rot. Bonds4

About 2,4-dimethyl-N-[2-(oxan-2-yl)ethyl]quinoline-3-carboxamide

2,4-dimethyl-N-[2-(oxan-2-yl)ethyl]quinoline-3-carboxamide (PubChem CID 132971003) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(oxan-2-yl)ethyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(oxan-2-yl)ethyl]quinoline-3-carboxamide
PubChem CID132971003
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2,4-dimethyl-N-[2-(oxan-2-yl)ethyl]quinoline-3-carboxamide
SMILESCc1nc2ccccc2c(C)c1C(=O)NCCC1CCCCO1
InChIInChI=1S/C19H24N2O2/c1-13-16-8-3-4-9-17(16)21-14(2)18(13)19(22)20-11-10-15-7-5-6-12-23-15/h3-4,8-9,15H,5-7,10-12H2,1-2H3,(H,20,22)
InChIKeyZXBIMHWTPSTORG-UHFFFAOYSA-N
XLogP3.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-[(2S)-oxolan-2-yl]ethyl]-6-phenylpyridine-3-carboxamide
CID 97002216
4-[2-(oxan-2-yl)ethylcarbamoyl]benzoic acid
CID 106704122
2,4-dimethylquinoline-3-carbohydrazide
CID 3811999
2-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
CID 103993683
2-chloro-6-methyl-N-[2-(oxan-2-yl)ethyl]pyridine-4-carboxamide
CID 104952816
4-[2-(oxolan-2-yl)ethylamino]quinazoline-2-carboxylic acid
CID 62405853
4-amino-N-[2-(oxan-2-yl)ethyl]benzamide
CID 83633238
N-[(4-fluorophenyl)methyl]-2,4-dimethylquinoline-3-carboxamide
CID 9046354
N-[2-(oxan-2-yl)ethyl]thiophene-2-carboxamide
CID 103993193
3-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
CID 103993198
4-[2-(oxolan-2-yl)ethylamino]quinoline-2-carboxylic acid
CID 63377382
6-fluoro-N-[2-(oxolan-2-yl)ethyl]pyridine-2-carboxamide
CID 115497544

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(oxan-2-yl)ethyl]quinoline-3-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[2-(oxan-2-yl)ethyl]quinoline-3-carboxamide (CID 132971003) is 2,4-dimethyl-N-[2-(oxan-2-yl)ethyl]quinoline-3-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-(oxan-2-yl)ethyl]quinoline-3-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[2-(oxan-2-yl)ethyl]quinoline-3-carboxamide is Cc1nc2ccccc2c(C)c1C(=O)NCCC1CCCCO1.
What is the InChIKey of 2,4-dimethyl-N-[2-(oxan-2-yl)ethyl]quinoline-3-carboxamide?
The InChIKey is ZXBIMHWTPSTORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-16-8-3-4-9-17(16)21-14(2)18(13)19(22)20-11-10-15-7-5-6-12-23-15/h3-4,8-9,15H,5-7,10-12H2,1-2H3,(H,20,22).
What are the key properties of 2,4-dimethyl-N-[2-(oxan-2-yl)ethyl]quinoline-3-carboxamide?
2,4-dimethyl-N-[2-(oxan-2-yl)ethyl]quinoline-3-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(oxan-2-yl)ethyl]quinoline-3-carboxamide is sourced from PubChem (CID 132971003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).