(8R)-N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide

C20H28N2O3 — CID 124627825

IUPAC(8R)-N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESCC1CCC2(CC1)OC[C@@H](CNC(=O)[C@@H]1CCCc3cccnc31)O2
InChIInChI=1S/C20H28N2O3/c1-14-7-9-20(10-8-14)24-13-16(25-20)12-22-19(23)17-6-2-4-15-5-3-11-21-18(15)17/h3,5,11,14,16-17H,2,4,6-10,12-13H2,1H3,(H,22,23)/t14?,16-,17-,20?/m1/s1
InChIKeyQQDMZFUPGMWQQU-SXOSEBPOSA-N
MW344.46 g/mol
LogP2.94
Rot. Bonds3

About (8R)-N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide

(8R)-N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide (PubChem CID 124627825) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is (8R)-N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound Name(8R)-N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
PubChem CID124627825
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name(8R)-N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESCC1CCC2(CC1)OC[C@@H](CNC(=O)[C@@H]1CCCc3cccnc31)O2
InChIInChI=1S/C20H28N2O3/c1-14-7-9-20(10-8-14)24-13-16(25-20)12-22-19(23)17-6-2-4-15-5-3-11-21-18(15)17/h3,5,11,14,16-17H,2,4,6-10,12-13H2,1H3,(H,22,23)/t14?,16-,17-,20?/m1/s1
InChIKeyQQDMZFUPGMWQQU-SXOSEBPOSA-N
XLogP2.94
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (8R)-N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine
CID 75446395
N-[(2-methylcyclopropyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide
CID 138998695
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
methyl 3-[[[(8R)-5,6,7,8-tetrahydroquinoline-8-carbonyl]amino]methyl]benzoate
CID 99842190
4-[[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methylcarbamoylamino]methyl]benzoic acid
CID 122009248
4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116555632
3-methyl-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-1,2-oxazole-5-carboxamide
CID 75446722
N-[3-oxo-3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 154754726
N-cyclobutyloxy-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 154862038
(5-methyloxolan-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782292
1,5-dimethyl-N-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]pyrazole-4-carboxamide
CID 97338354
2-methylsulfonyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 115782115

Frequently Asked Questions

What is the IUPAC name of (8R)-N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The IUPAC name of (8R)-N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide (CID 124627825) is (8R)-N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for (8R)-N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for (8R)-N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide is CC1CCC2(CC1)OC[C@@H](CNC(=O)[C@@H]1CCCc3cccnc31)O2.
What is the InChIKey of (8R)-N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The InChIKey is QQDMZFUPGMWQQU-SXOSEBPOSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-14-7-9-20(10-8-14)24-13-16(25-20)12-22-19(23)17-6-2-4-15-5-3-11-21-18(15)17/h3,5,11,14,16-17H,2,4,6-10,12-13H2,1H3,(H,22,23)/t14?,16-,17-,20?/m1/s1.
What are the key properties of (8R)-N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
(8R)-N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 124627825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).