N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-2-methyl-N-propylquinoline-4-carboxamide

C20H26N2O4 — CID 155996678

IUPACN-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-2-methyl-N-propylquinoline-4-carboxamide
SMILESCCCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C20H26N2O4/c1-3-8-22(10-14-11-26-12-18(23)19(14)24)20(25)16-9-13(2)21-17-7-5-4-6-15(16)17/h4-7,9,14,18-19,23-24H,3,8,10-12H2,1-2H3/t14-,18-,19+/m1/s1
InChIKeyHBQMKEQBDGDXPF-ZMYBRWDISA-N
MW358.44 g/mol
LogP1.76
Rot. Bonds5

About N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-2-methyl-N-propylquinoline-4-carboxamide

N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-2-methyl-N-propylquinoline-4-carboxamide (PubChem CID 155996678) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-2-methyl-N-propylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-2-methyl-N-propylquinoline-4-carboxamide
PubChem CID155996678
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC NameN-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-2-methyl-N-propylquinoline-4-carboxamide
SMILESCCCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C20H26N2O4/c1-3-8-22(10-14-11-26-12-18(23)19(14)24)20(25)16-9-13(2)21-17-7-5-4-6-15(16)17/h4-7,9,14,18-19,23-24H,3,8,10-12H2,1-2H3/t14-,18-,19+/m1/s1
InChIKeyHBQMKEQBDGDXPF-ZMYBRWDISA-N
XLogP1.76
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-2-methyl-N-propylquinoline-4-carboxamide with MolForge

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Related Compounds

2-methyl-N-(3-propan-2-yloxypropyl)quinoline-4-carboxamide
CID 2439323
Ethyl 1-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperidine-3-carboxylate
CID 4425006
Ethyl 4-(cyclopropylmethyl)-1-[(2-cyclopropylquinolin-4-yl)carbonyl]piperidine-4-carboxylate
CID 16190558
8-(3-Ethyl-2-phenylquinoline-4-carbonyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 4086754
(3'R*,4'R*)-1'-[(6-ethyl-2-methyl-4-quinolinyl)carbonyl]-1,4'-bipiperidine-3',4-diol
CID 24817760
4-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-2-phenylquinoline
CID 3237707
Ethyl 1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate
CID 4058411
[1-[(2,6-Dimethylquinolin-4-yl)carbonyl]-3-(2-methylbenzyl)piperidin-3-yl]methanol
CID 16188639
Ethyl 1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate
CID 3253441
(2,6-dimethylquinolin-4-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
CID 24817476
2-Methyl-4-(morpholine-4-carbonyl)-6-(propan-2-YL)quinoline
CID 53016188
2,8-dimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]quinoline-4-carboxamide
CID 56703883

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-2-methyl-N-propylquinoline-4-carboxamide?
The IUPAC name of N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-2-methyl-N-propylquinoline-4-carboxamide (CID 155996678) is N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-2-methyl-N-propylquinoline-4-carboxamide.
What is the SMILES notation for N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-2-methyl-N-propylquinoline-4-carboxamide?
The canonical SMILES for N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-2-methyl-N-propylquinoline-4-carboxamide is CCCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)c1cc(C)nc2ccccc12.
What is the InChIKey of N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-2-methyl-N-propylquinoline-4-carboxamide?
The InChIKey is HBQMKEQBDGDXPF-ZMYBRWDISA-N. The full InChI is InChI=1S/C20H26N2O4/c1-3-8-22(10-14-11-26-12-18(23)19(14)24)20(25)16-9-13(2)21-17-7-5-4-6-15(16)17/h4-7,9,14,18-19,23-24H,3,8,10-12H2,1-2H3/t14-,18-,19+/m1/s1.
What are the key properties of N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-2-methyl-N-propylquinoline-4-carboxamide?
N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-2-methyl-N-propylquinoline-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-2-methyl-N-propylquinoline-4-carboxamide is sourced from PubChem (CID 155996678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).