4-(quinolin-2-ylmethyl)morpholine-2-carboximidamide

C15H18N4O — CID 79676619

IUPAC4-(quinolin-2-ylmethyl)morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(Cc2ccc3ccccc3n2)CCO1
InChIInChI=1S/C15H18N4O/c16-15(17)14-10-19(7-8-20-14)9-12-6-5-11-3-1-2-4-13(11)18-12/h1-6,14H,7-10H2,(H3,16,17)
InChIKeyDTWCKSKUKAKGKX-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.37
Rot. Bonds3

About 4-(quinolin-2-ylmethyl)morpholine-2-carboximidamide

4-(quinolin-2-ylmethyl)morpholine-2-carboximidamide (PubChem CID 79676619) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-(quinolin-2-ylmethyl)morpholine-2-carboximidamide.

Molecular Properties

Compound Name4-(quinolin-2-ylmethyl)morpholine-2-carboximidamide
PubChem CID79676619
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-(quinolin-2-ylmethyl)morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(Cc2ccc3ccccc3n2)CCO1
InChIInChI=1S/C15H18N4O/c16-15(17)14-10-19(7-8-20-14)9-12-6-5-11-3-1-2-4-13(11)18-12/h1-6,14H,7-10H2,(H3,16,17)
InChIKeyDTWCKSKUKAKGKX-UHFFFAOYSA-N
XLogP1.37
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.37
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

4-(pyridin-2-ylmethyl)morpholine-2-carboximidamide
CID 79676156
4-quinazolin-2-ylmorpholine-2-carboximidamide
CID 114788809
4-(quinolin-2-ylmethyl)morpholine-2-carbonitrile
CID 78995631
4-[(1-ethylindazol-3-yl)methyl]morpholine-2-carboximidamide
CID 79671003
(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-amine
CID 68962287
(2S)-2-(5-methyl-2-pyridinyl)-4-(quinolin-2-ylmethyl)morpholine
CID 124998096
1-(quinolin-2-ylmethyl)azetidin-3-amine
CID 63760715
(2S)-2-(4-methyl-1,2,4-triazol-3-yl)-4-(quinolin-2-ylmethyl)morpholine
CID 129341152
4-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-2-carboximidamide
CID 79675684
4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboximidamide
CID 79680379
3-[4-(quinolin-2-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110269842
2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline
CID 113345872

Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-2-ylmethyl)morpholine-2-carboximidamide?
The IUPAC name of 4-(quinolin-2-ylmethyl)morpholine-2-carboximidamide (CID 79676619) is 4-(quinolin-2-ylmethyl)morpholine-2-carboximidamide.
What is the SMILES notation for 4-(quinolin-2-ylmethyl)morpholine-2-carboximidamide?
The canonical SMILES for 4-(quinolin-2-ylmethyl)morpholine-2-carboximidamide is [H]/N=C(\N)C1CN(Cc2ccc3ccccc3n2)CCO1.
What is the InChIKey of 4-(quinolin-2-ylmethyl)morpholine-2-carboximidamide?
The InChIKey is DTWCKSKUKAKGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-15(17)14-10-19(7-8-20-14)9-12-6-5-11-3-1-2-4-13(11)18-12/h1-6,14H,7-10H2,(H3,16,17).
What are the key properties of 4-(quinolin-2-ylmethyl)morpholine-2-carboximidamide?
4-(quinolin-2-ylmethyl)morpholine-2-carboximidamide has a molecular weight of 270.34 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-2-ylmethyl)morpholine-2-carboximidamide is sourced from PubChem (CID 79676619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).