N,N-dimethyl-1-[2-[4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine

C20H25N5O — CID 110117068

IUPACN,N-dimethyl-1-[2-[4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine
SMILESCN(C)Cc1cnc(C2CN(Cc3ccc4ncccc4c3)CCO2)[nH]1
InChIInChI=1S/C20H25N5O/c1-24(2)13-17-11-22-20(23-17)19-14-25(8-9-26-19)12-15-5-6-18-16(10-15)4-3-7-21-18/h3-7,10-11,19H,8-9,12-14H2,1-2H3,(H,22,23)
InChIKeyDYZCFHNPJXHALZ-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.59
Rot. Bonds5

About N,N-dimethyl-1-[2-[4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine

N,N-dimethyl-1-[2-[4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine (PubChem CID 110117068) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-[4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-[4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine
PubChem CID110117068
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN,N-dimethyl-1-[2-[4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine
SMILESCN(C)Cc1cnc(C2CN(Cc3ccc4ncccc4c3)CCO2)[nH]1
InChIInChI=1S/C20H25N5O/c1-24(2)13-17-11-22-20(23-17)19-14-25(8-9-26-19)12-15-5-6-18-16(10-15)4-3-7-21-18/h3-7,10-11,19H,8-9,12-14H2,1-2H3,(H,22,23)
InChIKeyDYZCFHNPJXHALZ-UHFFFAOYSA-N
XLogP2.59
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-[4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[2-[4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine (CID 110117068) is N,N-dimethyl-1-[2-[4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[2-[4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[2-[4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine is CN(C)Cc1cnc(C2CN(Cc3ccc4ncccc4c3)CCO2)[nH]1.
What is the InChIKey of N,N-dimethyl-1-[2-[4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine?
The InChIKey is DYZCFHNPJXHALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-24(2)13-17-11-22-20(23-17)19-14-25(8-9-26-19)12-15-5-6-18-16(10-15)4-3-7-21-18/h3-7,10-11,19H,8-9,12-14H2,1-2H3,(H,22,23).
What are the key properties of N,N-dimethyl-1-[2-[4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine?
N,N-dimethyl-1-[2-[4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine has a molecular weight of 351.45 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-[4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 110117068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).