[1-(3-tert-butylpyrrolidin-1-yl)isoquinolin-4-yl]methanol

C18H24N2O — CID 106768401

IUPAC[1-(3-tert-butylpyrrolidin-1-yl)isoquinolin-4-yl]methanol
SMILESCC(C)(C)C1CCN(c2ncc(CO)c3ccccc23)C1
InChIInChI=1S/C18H24N2O/c1-18(2,3)14-8-9-20(11-14)17-16-7-5-4-6-15(16)13(12-21)10-19-17/h4-7,10,14,21H,8-9,11-12H2,1-3H3
InChIKeyAPCRNBWZKAMDBW-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.60
Rot. Bonds2

About [1-(3-tert-butylpyrrolidin-1-yl)isoquinolin-4-yl]methanol

[1-(3-tert-butylpyrrolidin-1-yl)isoquinolin-4-yl]methanol (PubChem CID 106768401) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is [1-(3-tert-butylpyrrolidin-1-yl)isoquinolin-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-tert-butylpyrrolidin-1-yl)isoquinolin-4-yl]methanol
PubChem CID106768401
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name[1-(3-tert-butylpyrrolidin-1-yl)isoquinolin-4-yl]methanol
SMILESCC(C)(C)C1CCN(c2ncc(CO)c3ccccc23)C1
InChIInChI=1S/C18H24N2O/c1-18(2,3)14-8-9-20(11-14)17-16-7-5-4-6-15(16)13(12-21)10-19-17/h4-7,10,14,21H,8-9,11-12H2,1-3H3
InChIKeyAPCRNBWZKAMDBW-UHFFFAOYSA-N
XLogP3.60
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(3-tert-butylpyrrolidin-1-yl)isoquinolin-4-yl]methanol with MolForge

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Related Compounds

[1-(azepan-1-yl)isoquinolin-4-yl]methanol
CID 106767904
[1-(3,6-dihydro-2H-pyridin-1-yl)isoquinolin-4-yl]methanol
CID 106768440
N-[[1-(3-methoxypyrrolidin-1-yl)isoquinolin-4-yl]methyl]ethanamine
CID 106777093
[1-(2-azabicyclo[2.2.1]heptan-2-yl)isoquinolin-4-yl]methanol
CID 106768108
2-[4-(hydroxymethyl)isoquinolin-1-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 106768399
[2-(3-tert-butylpyrrolidin-1-yl)-5-chloro-4-pyridinyl]methanol
CID 114920499
4-(3-tert-butylpyrrolidin-1-yl)-5-(chloromethyl)-2-methylpyrimidine
CID 114215543
N-methyl-1-[1-(4-methylazepan-1-yl)isoquinolin-4-yl]methanamine
CID 106776173
1-(4-tert-butylpiperidin-1-yl)-4-chlorophthalazine
CID 62142535
4-(chloromethyl)-1-[4-(methoxymethyl)piperidin-1-yl]isoquinoline
CID 106769214
5-bromo-2-(3-tert-butylpyrrolidin-1-yl)-3-fluoropyridine
CID 104925342
[6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanol
CID 80628617

Frequently Asked Questions

What is the IUPAC name of [1-(3-tert-butylpyrrolidin-1-yl)isoquinolin-4-yl]methanol?
The IUPAC name of [1-(3-tert-butylpyrrolidin-1-yl)isoquinolin-4-yl]methanol (CID 106768401) is [1-(3-tert-butylpyrrolidin-1-yl)isoquinolin-4-yl]methanol.
What is the SMILES notation for [1-(3-tert-butylpyrrolidin-1-yl)isoquinolin-4-yl]methanol?
The canonical SMILES for [1-(3-tert-butylpyrrolidin-1-yl)isoquinolin-4-yl]methanol is CC(C)(C)C1CCN(c2ncc(CO)c3ccccc23)C1.
What is the InChIKey of [1-(3-tert-butylpyrrolidin-1-yl)isoquinolin-4-yl]methanol?
The InChIKey is APCRNBWZKAMDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-18(2,3)14-8-9-20(11-14)17-16-7-5-4-6-15(16)13(12-21)10-19-17/h4-7,10,14,21H,8-9,11-12H2,1-3H3.
What are the key properties of [1-(3-tert-butylpyrrolidin-1-yl)isoquinolin-4-yl]methanol?
[1-(3-tert-butylpyrrolidin-1-yl)isoquinolin-4-yl]methanol has a molecular weight of 284.40 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-tert-butylpyrrolidin-1-yl)isoquinolin-4-yl]methanol is sourced from PubChem (CID 106768401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).