[1-[8-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methylpropan-2-yl]carbamic acid

C24H33N3O4 — CID 68743893

IUPAC[1-[8-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methylpropan-2-yl]carbamic acid
SMILESCOc1ccc2nccc(CC(O)N3C4CCC3CC(CC(C)(C)NC(=O)O)C4)c2c1
InChIInChI=1S/C24H33N3O4/c1-24(2,26-23(29)30)14-15-10-17-4-5-18(11-15)27(17)22(28)12-16-8-9-25-21-7-6-19(31-3)13-20(16)21/h6-9,13,15,17-18,22,26,28H,4-5,10-12,14H2,1-3H3,(H,29,30)
InChIKeyOVGFCZAHZXCFQN-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.78
Rot. Bonds7

About [1-[8-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methylpropan-2-yl]carbamic acid

[1-[8-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methylpropan-2-yl]carbamic acid (PubChem CID 68743893) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is [1-[8-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[8-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methylpropan-2-yl]carbamic acid
PubChem CID68743893
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Name[1-[8-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methylpropan-2-yl]carbamic acid
SMILESCOc1ccc2nccc(CC(O)N3C4CCC3CC(CC(C)(C)NC(=O)O)C4)c2c1
InChIInChI=1S/C24H33N3O4/c1-24(2,26-23(29)30)14-15-10-17-4-5-18(11-15)27(17)22(28)12-16-8-9-25-21-7-6-19(31-3)13-20(16)21/h6-9,13,15,17-18,22,26,28H,4-5,10-12,14H2,1-3H3,(H,29,30)
InChIKeyOVGFCZAHZXCFQN-UHFFFAOYSA-N
XLogP3.78
TPSA94.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [1-[8-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methylpropan-2-yl]carbamic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[[1-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-yl]methyl]carbamic acid
CID 68748239
tert-butyl N-[4-[(1S)-1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]cyclohexyl]carbamate
CID 68631993
N-[2-(6-methoxyquinolin-4-yl)ethyl]cyclopropanecarboxamide
CID 19709964
ethyl 3-(6-methoxyquinolin-4-yl)propanoate
CID 66736782
(3R,4R)-1-(2-tert-butylsulfanylethyl)-4-[3-hydroxy-3-(6-methoxyquinolin-4-yl)propyl]piperidine-3-carboxylic acid
CID 70173522
1-(1-imino-1-oxo-1,4-thiazinan-4-yl)-2-(7-methoxyquinolin-4-yl)ethanol
CID 167284408
(2R)-1-[(3R,4S)-3-ethenylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-ol
CID 165341819
1-[(3R,4S)-3-ethylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-one
CID 70514644
[(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]carbamic acid
CID 88731876
3-[1-(2-cyclopropylethyl)-4-[(3S)-3-hydroxy-3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]propanoic acid
CID 70175674
3-[(3S,4R)-1-(2-cyclopropylethyl)-4-[(3R)-3-hydroxy-3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]propanoic acid
CID 70175672
3-(6-methoxyquinolin-4-yl)propanal
CID 10751165

Frequently Asked Questions

What is the IUPAC name of [1-[8-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methylpropan-2-yl]carbamic acid?
The IUPAC name of [1-[8-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methylpropan-2-yl]carbamic acid (CID 68743893) is [1-[8-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methylpropan-2-yl]carbamic acid.
What is the SMILES notation for [1-[8-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methylpropan-2-yl]carbamic acid?
The canonical SMILES for [1-[8-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methylpropan-2-yl]carbamic acid is COc1ccc2nccc(CC(O)N3C4CCC3CC(CC(C)(C)NC(=O)O)C4)c2c1.
What is the InChIKey of [1-[8-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methylpropan-2-yl]carbamic acid?
The InChIKey is OVGFCZAHZXCFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-24(2,26-23(29)30)14-15-10-17-4-5-18(11-15)27(17)22(28)12-16-8-9-25-21-7-6-19(31-3)13-20(16)21/h6-9,13,15,17-18,22,26,28H,4-5,10-12,14H2,1-3H3,(H,29,30).
What are the key properties of [1-[8-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methylpropan-2-yl]carbamic acid?
[1-[8-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methylpropan-2-yl]carbamic acid has a molecular weight of 427.55 g/mol, XLogP of 3.78, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[8-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methylpropan-2-yl]carbamic acid is sourced from PubChem (CID 68743893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).