3-[2-methoxyethyl(quinolin-2-ylmethyl)amino]propanimidamide

C16H22N4O — CID 63286083

IUPAC3-[2-methoxyethyl(quinolin-2-ylmethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)Cc1ccc2ccccc2n1
InChIInChI=1S/C16H22N4O/c1-21-11-10-20(9-8-16(17)18)12-14-7-6-13-4-2-3-5-15(13)19-14/h2-7H,8-12H2,1H3,(H3,17,18)
InChIKeyLTLSPMDFLXWKTN-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.01
Rot. Bonds8

About 3-[2-methoxyethyl(quinolin-2-ylmethyl)amino]propanimidamide

3-[2-methoxyethyl(quinolin-2-ylmethyl)amino]propanimidamide (PubChem CID 63286083) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[2-methoxyethyl(quinolin-2-ylmethyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[2-methoxyethyl(quinolin-2-ylmethyl)amino]propanimidamide
PubChem CID63286083
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-[2-methoxyethyl(quinolin-2-ylmethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)Cc1ccc2ccccc2n1
InChIInChI=1S/C16H22N4O/c1-21-11-10-20(9-8-16(17)18)12-14-7-6-13-4-2-3-5-15(13)19-14/h2-7H,8-12H2,1H3,(H3,17,18)
InChIKeyLTLSPMDFLXWKTN-UHFFFAOYSA-N
XLogP2.01
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[(4-chloro-2-fluorophenyl)methyl-(2-methoxyethyl)amino]propanimidamide
CID 114849629
3-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]propanimidamide
CID 63285770
4-methoxy-1-quinolin-2-ylbutan-2-one
CID 43139081
2-(2-methoxyethyl)quinoline
CID 129321824
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methoxyethyl)amino]propanimidamide
CID 63286081
3-(N-quinolin-2-ylanilino)propanimidamide
CID 24701549
3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 55170948
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(quinolin-2-ylmethyl)amino]ethyl]amino]acetic acid
CID 134338360
2-[ethyl(quinolin-2-ylmethyl)amino]-N'-hydroxyethanimidamide
CID 76928803
3-[N-[(6-methyl-2-pyridinyl)methyl]anilino]propanimidamide
CID 79267977
N-[[3,5-bis[[bis(quinolin-2-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methyl]-1-quinolin-2-yl-N-(quinolin-2-ylmethyl)methanamine
CID 139172571
1,3-bis[bis(quinolin-2-ylmethyl)amino]propan-2-ol
CID 86080053

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(quinolin-2-ylmethyl)amino]propanimidamide?
The IUPAC name of 3-[2-methoxyethyl(quinolin-2-ylmethyl)amino]propanimidamide (CID 63286083) is 3-[2-methoxyethyl(quinolin-2-ylmethyl)amino]propanimidamide.
What is the SMILES notation for 3-[2-methoxyethyl(quinolin-2-ylmethyl)amino]propanimidamide?
The canonical SMILES for 3-[2-methoxyethyl(quinolin-2-ylmethyl)amino]propanimidamide is [H]/N=C(\N)CCN(CCOC)Cc1ccc2ccccc2n1.
What is the InChIKey of 3-[2-methoxyethyl(quinolin-2-ylmethyl)amino]propanimidamide?
The InChIKey is LTLSPMDFLXWKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-21-11-10-20(9-8-16(17)18)12-14-7-6-13-4-2-3-5-15(13)19-14/h2-7H,8-12H2,1H3,(H3,17,18).
What are the key properties of 3-[2-methoxyethyl(quinolin-2-ylmethyl)amino]propanimidamide?
3-[2-methoxyethyl(quinolin-2-ylmethyl)amino]propanimidamide has a molecular weight of 286.38 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(quinolin-2-ylmethyl)amino]propanimidamide is sourced from PubChem (CID 63286083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).