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

C16H18N2O3 — CID 103762543

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide
SMILESCC1(C)OCC(CNC(=O)c2ccc3ccccc3n2)O1
InChIInChI=1S/C16H18N2O3/c1-16(2)20-10-12(21-16)9-17-15(19)14-8-7-11-5-3-4-6-13(11)18-14/h3-8,12H,9-10H2,1-2H3,(H,17,19)
InChIKeyHVESSAAPAASIRJ-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.12
Rot. Bonds3

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

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide (PubChem CID 103762543) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide
PubChem CID103762543
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide
SMILESCC1(C)OCC(CNC(=O)c2ccc3ccccc3n2)O1
InChIInChI=1S/C16H18N2O3/c1-16(2)20-10-12(21-16)9-17-15(19)14-8-7-11-5-3-4-6-13(11)18-14/h3-8,12H,9-10H2,1-2H3,(H,17,19)
InChIKeyHVESSAAPAASIRJ-UHFFFAOYSA-N
XLogP2.12
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyridine-2-carboxamide
CID 103762618
6-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide
CID 113351467
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 126471029
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-iodobenzamide
CID 103762608
N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]quinoline-2-carboxamide
CID 134794500
N-[(3-aminocyclobutyl)methyl]quinoline-2-carboxamide
CID 66005598
2-N,5-N-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,6-bis[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]pyrazine-2,5-dicarboxamide
CID 53387076
N-(cyclohexylmethyl)quinoline-2-carboxamide
CID 2496984
4-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide
CID 103762524
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxybenzamide
CID 113257087
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamoyl]benzamide
CID 3669993
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylbenzamide
CID 113264578

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide (CID 103762543) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide is CC1(C)OCC(CNC(=O)c2ccc3ccccc3n2)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide?
The InChIKey is HVESSAAPAASIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-16(2)20-10-12(21-16)9-17-15(19)14-8-7-11-5-3-4-6-13(11)18-14/h3-8,12H,9-10H2,1-2H3,(H,17,19).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide is sourced from PubChem (CID 103762543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).