(4-amino-5-chloro-2-methoxyphenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride

C17H23Cl3N4O3 — CID 119881097

IUPAC(4-amino-5-chloro-2-methoxyphenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)N1CCOC(Cn2cc(C)cn2)C1.Cl.Cl
InChIInChI=1S/C17H21ClN4O3.2ClH/c1-11-7-20-22(8-11)10-12-9-21(3-4-25-12)17(23)13-5-14(18)15(19)6-16(13)24-2;;/h5-8,12H,3-4,9-10,19H2,1-2H3;2*1H
InChIKeyJFCNHNRCFLOYQP-UHFFFAOYSA-N
MW437.76 g/mol
LogP2.82
Rot. Bonds4

About (4-amino-5-chloro-2-methoxyphenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride

(4-amino-5-chloro-2-methoxyphenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride (PubChem CID 119881097) has the molecular formula C17H23Cl3N4O3 and a molecular weight of 437.76 g/mol. Its IUPAC name is (4-amino-5-chloro-2-methoxyphenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(4-amino-5-chloro-2-methoxyphenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride
PubChem CID119881097
Molecular FormulaC17H23Cl3N4O3
Molecular Weight437.76 g/mol
Exact Mass436.08
IUPAC Name(4-amino-5-chloro-2-methoxyphenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)N1CCOC(Cn2cc(C)cn2)C1.Cl.Cl
InChIInChI=1S/C17H21ClN4O3.2ClH/c1-11-7-20-22(8-11)10-12-9-21(3-4-25-12)17(23)13-5-14(18)15(19)6-16(13)24-2;;/h5-8,12H,3-4,9-10,19H2,1-2H3;2*1H
InChIKeyJFCNHNRCFLOYQP-UHFFFAOYSA-N
XLogP2.82
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.76
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-5-chloro-2-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 90103957
(2-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride
CID 119947134
(4-amino-5-chloro-2-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone;hydrochloride
CID 119698736
(3-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone
CID 119881082
ethyl 2-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]morpholine-4-carboxylate
CID 14877396
(4-amino-5-chloro-2-methoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;hydrochloride
CID 119669799
(4-amino-5-chloro-2-methoxyphenyl)-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119875833
(4-amino-5-chloro-2-methoxyphenyl)-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119883779
N-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]acetamide;hydrochloride
CID 119746035
2-methyl-3-(methylamino)-1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propan-1-one
CID 119881078
(4-amino-5-chloro-2-methoxyphenyl)-(3-aminopiperidin-1-yl)methanone
CID 122080175
N-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]acetamide
CID 119746036

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-chloro-2-methoxyphenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride?
The IUPAC name of (4-amino-5-chloro-2-methoxyphenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride (CID 119881097) is (4-amino-5-chloro-2-methoxyphenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride.
What is the SMILES notation for (4-amino-5-chloro-2-methoxyphenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride?
The canonical SMILES for (4-amino-5-chloro-2-methoxyphenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride is COc1cc(N)c(Cl)cc1C(=O)N1CCOC(Cn2cc(C)cn2)C1.Cl.Cl.
What is the InChIKey of (4-amino-5-chloro-2-methoxyphenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride?
The InChIKey is JFCNHNRCFLOYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O3.2ClH/c1-11-7-20-22(8-11)10-12-9-21(3-4-25-12)17(23)13-5-14(18)15(19)6-16(13)24-2;;/h5-8,12H,3-4,9-10,19H2,1-2H3;2*1H.
What are the key properties of (4-amino-5-chloro-2-methoxyphenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride?
(4-amino-5-chloro-2-methoxyphenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride has a molecular weight of 437.76 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-chloro-2-methoxyphenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride is sourced from PubChem (CID 119881097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).