N-(4-tert-butylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)isoquinolin-1-amine

C28H30N4O — CID 11374021

IUPACN-(4-tert-butylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)isoquinolin-1-amine
SMILESCC(C)(C)c1ccc(Nc2ncc(-c3ccnc(N4CCOCC4)c3)c3ccccc23)cc1
InChIInChI=1S/C28H30N4O/c1-28(2,3)21-8-10-22(11-9-21)31-27-24-7-5-4-6-23(24)25(19-30-27)20-12-13-29-26(18-20)32-14-16-33-17-15-32/h4-13,18-19H,14-17H2,1-3H3,(H,30,31)
InChIKeyRJARJEFTSIFPGX-UHFFFAOYSA-N
MW438.58 g/mol
LogP6.17
Rot. Bonds4

About N-(4-tert-butylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)isoquinolin-1-amine

N-(4-tert-butylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)isoquinolin-1-amine (PubChem CID 11374021) has the molecular formula C28H30N4O and a molecular weight of 438.58 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)isoquinolin-1-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)isoquinolin-1-amine
PubChem CID11374021
Molecular FormulaC28H30N4O
Molecular Weight438.58 g/mol
Exact Mass438.24
IUPAC NameN-(4-tert-butylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)isoquinolin-1-amine
SMILESCC(C)(C)c1ccc(Nc2ncc(-c3ccnc(N4CCOCC4)c3)c3ccccc23)cc1
InChIInChI=1S/C28H30N4O/c1-28(2,3)21-8-10-22(11-9-21)31-27-24-7-5-4-6-23(24)25(19-30-27)20-12-13-29-26(18-20)32-14-16-33-17-15-32/h4-13,18-19H,14-17H2,1-3H3,(H,30,31)
InChIKeyRJARJEFTSIFPGX-UHFFFAOYSA-N
XLogP6.17
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.58
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-4-(3-morpholin-4-yl-4-pyridinyl)isoquinolin-1-amine
CID 11339607
N-(4-tert-butylphenyl)-4-[2-(oxan-4-yl)pyrimidin-4-yl]isoquinolin-1-amine
CID 69475049
4-[4-(2-methoxyphenyl)-2-pyridinyl]morpholine
CID 134375667
4-(2-morpholin-4-yl-4-pyridinyl)-N-phenylpyrimidin-2-amine
CID 71458570
N-(4-tert-butylphenyl)-4-(2-methylsulfanylpyrimidin-4-yl)isoquinolin-1-amine
CID 69473701
4-[4-(2,2-dimethylpropyl)-2-pyridinyl]morpholine
CID 59574141
N-methyl-2-morpholin-4-ylpyridin-4-amine
CID 68914812
3-(1,1-difluoroethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide
CID 86297692
N-(4-morpholin-4-ylphenyl)-4-[4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]phthalazin-1-amine
CID 164617608
1-tert-butyl-2-methoxybenzene;4-(4-tert-butyl-2-pyridinyl)morpholine
CID 165066762
4-[4-(2-methyl-5-nitroso-3-pyridinyl)-2-pyridinyl]morpholine
CID 168928475
4-(5-amino-1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 117078839

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)isoquinolin-1-amine?
The IUPAC name of N-(4-tert-butylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)isoquinolin-1-amine (CID 11374021) is N-(4-tert-butylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)isoquinolin-1-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)isoquinolin-1-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)isoquinolin-1-amine is CC(C)(C)c1ccc(Nc2ncc(-c3ccnc(N4CCOCC4)c3)c3ccccc23)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)isoquinolin-1-amine?
The InChIKey is RJARJEFTSIFPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O/c1-28(2,3)21-8-10-22(11-9-21)31-27-24-7-5-4-6-23(24)25(19-30-27)20-12-13-29-26(18-20)32-14-16-33-17-15-32/h4-13,18-19H,14-17H2,1-3H3,(H,30,31).
What are the key properties of N-(4-tert-butylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)isoquinolin-1-amine?
N-(4-tert-butylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)isoquinolin-1-amine has a molecular weight of 438.58 g/mol, XLogP of 6.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)isoquinolin-1-amine is sourced from PubChem (CID 11374021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).