(Z)-2-(4-chlorophenyl)-3-imino-1-(2-morpholin-4-yl-4-pyridinyl)prop-1-en-1-amine

C18H19ClN4O — CID 166490702

IUPAC(Z)-2-(4-chlorophenyl)-3-imino-1-(2-morpholin-4-yl-4-pyridinyl)prop-1-en-1-amine
SMILES[H]/N=C/C(=C(\N)c1ccnc(N2CCOCC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN4O/c19-15-3-1-13(2-4-15)16(12-20)18(21)14-5-6-22-17(11-14)23-7-9-24-10-8-23/h1-6,11-12,20H,7-10,21H2/b18-16+,20-12+
InChIKeyGDTCLQBJOPTCBA-AWFXMPJUSA-N
MW342.83 g/mol
LogP3.05
Rot. Bonds4

About (Z)-2-(4-chlorophenyl)-3-imino-1-(2-morpholin-4-yl-4-pyridinyl)prop-1-en-1-amine

(Z)-2-(4-chlorophenyl)-3-imino-1-(2-morpholin-4-yl-4-pyridinyl)prop-1-en-1-amine (PubChem CID 166490702) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is (Z)-2-(4-chlorophenyl)-3-imino-1-(2-morpholin-4-yl-4-pyridinyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(4-chlorophenyl)-3-imino-1-(2-morpholin-4-yl-4-pyridinyl)prop-1-en-1-amine
PubChem CID166490702
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name(Z)-2-(4-chlorophenyl)-3-imino-1-(2-morpholin-4-yl-4-pyridinyl)prop-1-en-1-amine
SMILES[H]/N=C/C(=C(\N)c1ccnc(N2CCOCC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN4O/c19-15-3-1-13(2-4-15)16(12-20)18(21)14-5-6-22-17(11-14)23-7-9-24-10-8-23/h1-6,11-12,20H,7-10,21H2/b18-16+,20-12+
InChIKeyGDTCLQBJOPTCBA-AWFXMPJUSA-N
XLogP3.05
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-2-(4-chlorophenyl)-3-imino-1-(2-morpholin-4-yl-4-pyridinyl)prop-1-en-1-amine with MolForge

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Related Compounds

2-(1,4-oxazepan-4-yl)pyridine-4-carboximidamide
CID 62973407
(3,4-dichlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 20867062
N-(2,3-dichlorophenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 109167430
6-methoxy-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 144795332
2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1,3-oxazol-2-yl)aniline
CID 144697869
6-cyclopropyl-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 139566216
tert-butyl 2-morpholin-4-ylpyridine-4-carboxylate
CID 2762943
3-(2-morpholin-4-yl-4-pyridinyl)propan-1-amine
CID 83890126
2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1H-pyrazol-4-yl)aniline
CID 123496232
3-(2-morpholin-4-ylpyridine-4-carboximidoyl)-5-propan-2-yloxypyridin-2-amine
CID 139566238
(Z)-3-[4-(fluoromethoxy)phenyl]-N'-(5-fluoro-2-morpholin-4-yl-4-pyridinyl)-4-iminobut-2-enimidamide
CID 169200321
2-morpholin-4-yl-N-(1,3-oxazol-2-yl)pyridine-4-carboxamide
CID 162429786

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-chlorophenyl)-3-imino-1-(2-morpholin-4-yl-4-pyridinyl)prop-1-en-1-amine?
The IUPAC name of (Z)-2-(4-chlorophenyl)-3-imino-1-(2-morpholin-4-yl-4-pyridinyl)prop-1-en-1-amine (CID 166490702) is (Z)-2-(4-chlorophenyl)-3-imino-1-(2-morpholin-4-yl-4-pyridinyl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-2-(4-chlorophenyl)-3-imino-1-(2-morpholin-4-yl-4-pyridinyl)prop-1-en-1-amine?
The canonical SMILES for (Z)-2-(4-chlorophenyl)-3-imino-1-(2-morpholin-4-yl-4-pyridinyl)prop-1-en-1-amine is [H]/N=C/C(=C(\N)c1ccnc(N2CCOCC2)c1)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-2-(4-chlorophenyl)-3-imino-1-(2-morpholin-4-yl-4-pyridinyl)prop-1-en-1-amine?
The InChIKey is GDTCLQBJOPTCBA-AWFXMPJUSA-N. The full InChI is InChI=1S/C18H19ClN4O/c19-15-3-1-13(2-4-15)16(12-20)18(21)14-5-6-22-17(11-14)23-7-9-24-10-8-23/h1-6,11-12,20H,7-10,21H2/b18-16+,20-12+.
What are the key properties of (Z)-2-(4-chlorophenyl)-3-imino-1-(2-morpholin-4-yl-4-pyridinyl)prop-1-en-1-amine?
(Z)-2-(4-chlorophenyl)-3-imino-1-(2-morpholin-4-yl-4-pyridinyl)prop-1-en-1-amine has a molecular weight of 342.83 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-chlorophenyl)-3-imino-1-(2-morpholin-4-yl-4-pyridinyl)prop-1-en-1-amine is sourced from PubChem (CID 166490702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).