N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide

C19H29N3O3 — CID 91786606

IUPACN-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCN(C)CCO[C@@H]1COCC[C@H]1NC(=O)c1cnc2c(c1)CCCC2
InChIInChI=1S/C19H29N3O3/c1-22(2)8-10-25-18-13-24-9-7-17(18)21-19(23)15-11-14-5-3-4-6-16(14)20-12-15/h11-12,17-18H,3-10,13H2,1-2H3,(H,21,23)/t17-,18-/m1/s1
InChIKeyJSLOCHVIMVJNOS-QZTJIDSGSA-N
MW347.46 g/mol
LogP1.43
Rot. Bonds6

About N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide

N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 91786606) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID91786606
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCN(C)CCO[C@@H]1COCC[C@H]1NC(=O)c1cnc2c(c1)CCCC2
InChIInChI=1S/C19H29N3O3/c1-22(2)8-10-25-18-13-24-9-7-17(18)21-19(23)15-11-14-5-3-4-6-16(14)20-12-15/h11-12,17-18H,3-10,13H2,1-2H3,(H,21,23)/t17-,18-/m1/s1
InChIKeyJSLOCHVIMVJNOS-QZTJIDSGSA-N
XLogP1.43
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide
CID 164629006
N-[(3S,4R)-4-methoxyoxolan-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 122565209
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 91783077
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-fluoropyridine-4-carboxamide
CID 91761132
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 91767405
5-chloro-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]thiophene-2-carboxamide
CID 91788646
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(2H-indazol-3-yl)acetamide
CID 91790527
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 91790068
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(3-fluorophenoxy)acetamide
CID 91788685
N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1-methylimidazole-2-carboxamide
CID 133266265
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-methyl-2-(4-methylphenoxy)propanamide
CID 91786617
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-thiophen-3-ylpropanamide
CID 91790379

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide (CID 91786606) is N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide is CN(C)CCO[C@@H]1COCC[C@H]1NC(=O)c1cnc2c(c1)CCCC2.
What is the InChIKey of N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is JSLOCHVIMVJNOS-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-22(2)8-10-25-18-13-24-9-7-17(18)21-19(23)15-11-14-5-3-4-6-16(14)20-12-15/h11-12,17-18H,3-10,13H2,1-2H3,(H,21,23)/t17-,18-/m1/s1.
What are the key properties of N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide?
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 91786606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).