N-(isoquinolin-5-ylmethyl)-N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine

C23H27N3O — CID 56900362

IUPACN-(isoquinolin-5-ylmethyl)-N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine
SMILESCN(Cc1cccc(CN2CCOCC2)c1)Cc1cccc2cnccc12
InChIInChI=1S/C23H27N3O/c1-25(18-22-7-3-6-21-15-24-9-8-23(21)22)16-19-4-2-5-20(14-19)17-26-10-12-27-13-11-26/h2-9,14-15H,10-13,16-18H2,1H3
InChIKeyQFBNBJKCDCCQBE-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.70
Rot. Bonds6

About N-(isoquinolin-5-ylmethyl)-N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine

N-(isoquinolin-5-ylmethyl)-N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine (PubChem CID 56900362) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is N-(isoquinolin-5-ylmethyl)-N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-(isoquinolin-5-ylmethyl)-N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine
PubChem CID56900362
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC NameN-(isoquinolin-5-ylmethyl)-N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine
SMILESCN(Cc1cccc(CN2CCOCC2)c1)Cc1cccc2cnccc12
InChIInChI=1S/C23H27N3O/c1-25(18-22-7-3-6-21-15-24-9-8-23(21)22)16-19-4-2-5-20(14-19)17-26-10-12-27-13-11-26/h2-9,14-15H,10-13,16-18H2,1H3
InChIKeyQFBNBJKCDCCQBE-UHFFFAOYSA-N
XLogP3.70
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(isoquinolin-5-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 72862091
1-isoquinolin-5-yl-N-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]methanamine
CID 131912352
N,N-dimethyl-3-(morpholin-4-ylmethyl)aniline
CID 58543772
(1R)-2-[methyl-[[3-(morpholin-4-ylmethyl)phenyl]methyl]amino]-1-phenylethanol
CID 129457730
1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-N-(isoquinolin-5-ylmethyl)-N-methylmethanamine
CID 25450190
16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11523230
4-[3-(morpholin-4-ylmethyl)phenyl]pyridin-3-amine
CID 72852250
5-[[1-[(3-nitrophenyl)methyl]piperidin-4-yl]methyl]isoquinoline
CID 157122362
ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484
(1R)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyridin-3-ylethanamine
CID 124516341
3-[[[4-(isoquinolin-5-ylmethyl)cyclohexyl]amino]methyl]aniline;3-[[4-(isoquinolin-5-ylmethyl)piperidin-1-yl]methyl]aniline
CID 159221807
3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol
CID 132779151

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-5-ylmethyl)-N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine?
The IUPAC name of N-(isoquinolin-5-ylmethyl)-N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine (CID 56900362) is N-(isoquinolin-5-ylmethyl)-N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine.
What is the SMILES notation for N-(isoquinolin-5-ylmethyl)-N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine?
The canonical SMILES for N-(isoquinolin-5-ylmethyl)-N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine is CN(Cc1cccc(CN2CCOCC2)c1)Cc1cccc2cnccc12.
What is the InChIKey of N-(isoquinolin-5-ylmethyl)-N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine?
The InChIKey is QFBNBJKCDCCQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-25(18-22-7-3-6-21-15-24-9-8-23(21)22)16-19-4-2-5-20(14-19)17-26-10-12-27-13-11-26/h2-9,14-15H,10-13,16-18H2,1H3.
What are the key properties of N-(isoquinolin-5-ylmethyl)-N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine?
N-(isoquinolin-5-ylmethyl)-N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine has a molecular weight of 361.49 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-5-ylmethyl)-N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 56900362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).