N,2,8-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]quinoline-4-carboxamide

C20H26N2O2 — CID 95045864

IUPACN,2,8-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)CC[C@H]2CCCCO2)c2cccc(C)c2n1
InChIInChI=1S/C20H26N2O2/c1-14-7-6-9-17-18(13-15(2)21-19(14)17)20(23)22(3)11-10-16-8-4-5-12-24-16/h6-7,9,13,16H,4-5,8,10-12H2,1-3H3/t16-/m1/s1
InChIKeyVICKKZAYFVSFGU-MRXNPFEDSA-N
MW326.44 g/mol
LogP3.88
Rot. Bonds4

About N,2,8-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]quinoline-4-carboxamide

N,2,8-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]quinoline-4-carboxamide (PubChem CID 95045864) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N,2,8-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN,2,8-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]quinoline-4-carboxamide
PubChem CID95045864
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN,2,8-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)CC[C@H]2CCCCO2)c2cccc(C)c2n1
InChIInChI=1S/C20H26N2O2/c1-14-7-6-9-17-18(13-15(2)21-19(14)17)20(23)22(3)11-10-16-8-4-5-12-24-16/h6-7,9,13,16H,4-5,8,10-12H2,1-3H3/t16-/m1/s1
InChIKeyVICKKZAYFVSFGU-MRXNPFEDSA-N
XLogP3.88
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,8-dimethylquinolin-4-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 96572515
3-fluoro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyridine-4-carboxamide
CID 99972449
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]benzamide
CID 125166689
2-methyl-8-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 46334731
N,2,8-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]quinoline-4-carboxamide
CID 46994897
N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96579479
N-methyl-N-[2-(oxan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 77091135
N-methyl-2-(1-methylpyrrol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]-2-oxoacetamide
CID 99927104
1,1,3-trimethyl-3-[2-(oxan-2-yl)ethyl]urea
CID 110604883
3-(3-hydroxyphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide
CID 77086969
6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 55052209
1-ethyl-N,3,5-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyrazole-4-carboxamide
CID 125177076

Frequently Asked Questions

What is the IUPAC name of N,2,8-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]quinoline-4-carboxamide?
The IUPAC name of N,2,8-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]quinoline-4-carboxamide (CID 95045864) is N,2,8-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]quinoline-4-carboxamide.
What is the SMILES notation for N,2,8-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]quinoline-4-carboxamide?
The canonical SMILES for N,2,8-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]quinoline-4-carboxamide is Cc1cc(C(=O)N(C)CC[C@H]2CCCCO2)c2cccc(C)c2n1.
What is the InChIKey of N,2,8-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]quinoline-4-carboxamide?
The InChIKey is VICKKZAYFVSFGU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14-7-6-9-17-18(13-15(2)21-19(14)17)20(23)22(3)11-10-16-8-4-5-12-24-16/h6-7,9,13,16H,4-5,8,10-12H2,1-3H3/t16-/m1/s1.
What are the key properties of N,2,8-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]quinoline-4-carboxamide?
N,2,8-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]quinoline-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,8-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 95045864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).