7-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]isoquinolin-1-amine

C21H24N4O — CID 166239118

IUPAC7-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]isoquinolin-1-amine
SMILESCc1ccc2ccnc(NCc3ccc(N4CCOC(C)C4)nc3)c2c1
InChIInChI=1S/C21H24N4O/c1-15-3-5-18-7-8-22-21(19(18)11-15)24-13-17-4-6-20(23-12-17)25-9-10-26-16(2)14-25/h3-8,11-12,16H,9-10,13-14H2,1-2H3,(H,22,24)
InChIKeyRTSSFRAULFXZSC-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.78
Rot. Bonds4

About 7-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]isoquinolin-1-amine

7-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]isoquinolin-1-amine (PubChem CID 166239118) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 7-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]isoquinolin-1-amine.

Molecular Properties

Compound Name7-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]isoquinolin-1-amine
PubChem CID166239118
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name7-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]isoquinolin-1-amine
SMILESCc1ccc2ccnc(NCc3ccc(N4CCOC(C)C4)nc3)c2c1
InChIInChI=1S/C21H24N4O/c1-15-3-5-18-7-8-22-21(19(18)11-15)24-13-17-4-6-20(23-12-17)25-9-10-26-16(2)14-25/h3-8,11-12,16H,9-10,13-14H2,1-2H3,(H,22,24)
InChIKeyRTSSFRAULFXZSC-UHFFFAOYSA-N
XLogP3.78
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]isoquinolin-1-amine with MolForge

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Related Compounds

6-(2-methylmorpholin-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine
CID 118634351
1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 56815402
2,3,5,6-tetrafluoro-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridin-4-amine
CID 133338770
7-chloro-N-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]quinolin-4-amine
CID 94424908
1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969669
5-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 120969668
N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine
CID 94424980
3-[[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methylamino]methyl]benzoic acid
CID 122030335
2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 110915666
1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea
CID 94068034
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]methanamine
CID 94531051
1-tert-butylsulfanyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine
CID 75382775

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]isoquinolin-1-amine?
The IUPAC name of 7-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]isoquinolin-1-amine (CID 166239118) is 7-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]isoquinolin-1-amine.
What is the SMILES notation for 7-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]isoquinolin-1-amine?
The canonical SMILES for 7-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]isoquinolin-1-amine is Cc1ccc2ccnc(NCc3ccc(N4CCOC(C)C4)nc3)c2c1.
What is the InChIKey of 7-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]isoquinolin-1-amine?
The InChIKey is RTSSFRAULFXZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-3-5-18-7-8-22-21(19(18)11-15)24-13-17-4-6-20(23-12-17)25-9-10-26-16(2)14-25/h3-8,11-12,16H,9-10,13-14H2,1-2H3,(H,22,24).
What are the key properties of 7-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]isoquinolin-1-amine?
7-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]isoquinolin-1-amine has a molecular weight of 348.45 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]isoquinolin-1-amine is sourced from PubChem (CID 166239118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).