[4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone

C18H20ClN3O3 — CID 109206556

IUPAC[4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone
SMILESCOc1cc(Cl)c(C)cc1Nc1ccnc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C18H20ClN3O3/c1-12-9-15(17(24-2)11-14(12)19)21-13-3-4-20-16(10-13)18(23)22-5-7-25-8-6-22/h3-4,9-11H,5-8H2,1-2H3,(H,20,21)
InChIKeyRHOBQMJMVUMBSN-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.27
Rot. Bonds4

About [4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone

[4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 109206556) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is [4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone
PubChem CID109206556
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name[4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone
SMILESCOc1cc(Cl)c(C)cc1Nc1ccnc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C18H20ClN3O3/c1-12-9-15(17(24-2)11-14(12)19)21-13-3-4-20-16(10-13)18(23)22-5-7-25-8-6-22/h3-4,9-11H,5-8H2,1-2H3,(H,20,21)
InChIKeyRHOBQMJMVUMBSN-UHFFFAOYSA-N
XLogP3.27
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

morpholin-4-yl-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone
CID 109206544
[4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219569
4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109204162
[4-(2,6-dichloroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206553
azepan-1-yl-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]methanone
CID 109196845
4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109204886
4-(4-chloro-2-methoxy-5-methylanilino)pyridine-2-carbothioamide
CID 62924493
[2-(4-chloro-2-methoxy-5-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302358
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045550
[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109186744
4-[4-(5-chloro-2-methoxyanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109208801
4-(4-chloro-2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210740

Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone (CID 109206556) is [4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone is COc1cc(Cl)c(C)cc1Nc1ccnc(C(=O)N2CCOCC2)c1.
What is the InChIKey of [4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is RHOBQMJMVUMBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-12-9-15(17(24-2)11-14(12)19)21-13-3-4-20-16(10-13)18(23)22-5-7-25-8-6-22/h3-4,9-11H,5-8H2,1-2H3,(H,20,21).
What are the key properties of [4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone?
[4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 361.83 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109206556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).