3-amino-3-imino-N-[4-(quinolin-4-ylmethoxy)phenyl]propanamide;hydrochloride

C19H19ClN4O2 — CID 69164659

IUPAC3-amino-3-imino-N-[4-(quinolin-4-ylmethoxy)phenyl]propanamide;hydrochloride
SMILESCl.[H]/N=C(\N)CC(=O)Nc1ccc(OCc2ccnc3ccccc23)cc1
InChIInChI=1S/C19H18N4O2.ClH/c20-18(21)11-19(24)23-14-5-7-15(8-6-14)25-12-13-9-10-22-17-4-2-1-3-16(13)17;/h1-10H,11-12H2,(H3,20,21)(H,23,24);1H
InChIKeySOCOQBNCZMNJMB-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.50
Rot. Bonds6

About 3-amino-3-imino-N-[4-(quinolin-4-ylmethoxy)phenyl]propanamide;hydrochloride

3-amino-3-imino-N-[4-(quinolin-4-ylmethoxy)phenyl]propanamide;hydrochloride (PubChem CID 69164659) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 3-amino-3-imino-N-[4-(quinolin-4-ylmethoxy)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-3-imino-N-[4-(quinolin-4-ylmethoxy)phenyl]propanamide;hydrochloride
PubChem CID69164659
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name3-amino-3-imino-N-[4-(quinolin-4-ylmethoxy)phenyl]propanamide;hydrochloride
SMILESCl.[H]/N=C(\N)CC(=O)Nc1ccc(OCc2ccnc3ccccc23)cc1
InChIInChI=1S/C19H18N4O2.ClH/c20-18(21)11-19(24)23-14-5-7-15(8-6-14)25-12-13-9-10-22-17-4-2-1-3-16(13)17;/h1-10H,11-12H2,(H3,20,21)(H,23,24);1H
InChIKeySOCOQBNCZMNJMB-UHFFFAOYSA-N
XLogP3.50
TPSA101.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.50
H-Bond Donors ≤ 53
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-amino-3-imino-N-[4-(quinolin-4-ylmethoxy)phenyl]propanamide
CID 69164660
quinolin-4-ylmethyl hydrogen carbonate
CID 154246402
3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide
CID 79234905
2-methyl-4-(quinolin-4-ylmethoxy)aniline
CID 79234978
2-imidazol-1-yl-N-(4-quinolin-4-yloxyphenyl)acetamide
CID 71984235
quinolin-4-ylmethyl 1H-pyrrole-3-carboxylate
CID 127262545
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-naphthalen-1-ylacetamide
CID 38381033
quinolin-4-ylmethyl 5-aminopyridine-2-carboxylate
CID 81312647
2-[[4-[4-(quinolin-4-ylmethoxy)phenyl]phenyl]sulfonylamino]butanoic acid
CID 141119806
4-[(2-chlorophenoxy)methyl]quinoline
CID 79241295
methyl 1-[(4-quinolin-4-yloxyphenyl)carbamoyl]cyclopropane-1-carboxylate
CID 130296636
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] quinoline-4-carboxylate
CID 78815301

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-imino-N-[4-(quinolin-4-ylmethoxy)phenyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-3-imino-N-[4-(quinolin-4-ylmethoxy)phenyl]propanamide;hydrochloride (CID 69164659) is 3-amino-3-imino-N-[4-(quinolin-4-ylmethoxy)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-3-imino-N-[4-(quinolin-4-ylmethoxy)phenyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-3-imino-N-[4-(quinolin-4-ylmethoxy)phenyl]propanamide;hydrochloride is Cl.[H]/N=C(\N)CC(=O)Nc1ccc(OCc2ccnc3ccccc23)cc1.
What is the InChIKey of 3-amino-3-imino-N-[4-(quinolin-4-ylmethoxy)phenyl]propanamide;hydrochloride?
The InChIKey is SOCOQBNCZMNJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2.ClH/c20-18(21)11-19(24)23-14-5-7-15(8-6-14)25-12-13-9-10-22-17-4-2-1-3-16(13)17;/h1-10H,11-12H2,(H3,20,21)(H,23,24);1H.
What are the key properties of 3-amino-3-imino-N-[4-(quinolin-4-ylmethoxy)phenyl]propanamide;hydrochloride?
3-amino-3-imino-N-[4-(quinolin-4-ylmethoxy)phenyl]propanamide;hydrochloride has a molecular weight of 370.84 g/mol, XLogP of 3.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-imino-N-[4-(quinolin-4-ylmethoxy)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 69164659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).