[1-(3-chloro-N-methylanilino)-3-methylpyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone

C20H21ClN4O2 — CID 68866066

IUPAC[1-(3-chloro-N-methylanilino)-3-methylpyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone
SMILESCc1cn(N(C)c2cccc(Cl)c2)c2cncc(C(=O)N3CCOCC3)c12
InChIInChI=1S/C20H21ClN4O2/c1-14-13-25(23(2)16-5-3-4-15(21)10-16)18-12-22-11-17(19(14)18)20(26)24-6-8-27-9-7-24/h3-5,10-13H,6-9H2,1-2H3
InChIKeyICIQSJDWCCXWEA-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.37
Rot. Bonds3

About [1-(3-chloro-N-methylanilino)-3-methylpyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone

[1-(3-chloro-N-methylanilino)-3-methylpyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone (PubChem CID 68866066) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is [1-(3-chloro-N-methylanilino)-3-methylpyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(3-chloro-N-methylanilino)-3-methylpyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone
PubChem CID68866066
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name[1-(3-chloro-N-methylanilino)-3-methylpyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone
SMILESCc1cn(N(C)c2cccc(Cl)c2)c2cncc(C(=O)N3CCOCC3)c12
InChIInChI=1S/C20H21ClN4O2/c1-14-13-25(23(2)16-5-3-4-15(21)10-16)18-12-22-11-17(19(14)18)20(26)24-6-8-27-9-7-24/h3-5,10-13H,6-9H2,1-2H3
InChIKeyICIQSJDWCCXWEA-UHFFFAOYSA-N
XLogP3.37
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 78852489
[4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063918
N-(3-chlorophenyl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103815
(2-methylquinolin-3-yl)-morpholin-4-ylmethanone
CID 110489563
N-(3-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113127190
[6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53333971
(2-amino-5-chlorophenyl)-morpholin-4-ylmethanone
CID 16776415
(5-chloro-2-iodophenyl)-morpholin-4-ylmethanone
CID 39710545
(4-chloro-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 81226471
N-[1-(3-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide
CID 115589168
[4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 42670869
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-N-methylanilino)-3-methylpyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(3-chloro-N-methylanilino)-3-methylpyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone (CID 68866066) is [1-(3-chloro-N-methylanilino)-3-methylpyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(3-chloro-N-methylanilino)-3-methylpyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(3-chloro-N-methylanilino)-3-methylpyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone is Cc1cn(N(C)c2cccc(Cl)c2)c2cncc(C(=O)N3CCOCC3)c12.
What is the InChIKey of [1-(3-chloro-N-methylanilino)-3-methylpyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is ICIQSJDWCCXWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-14-13-25(23(2)16-5-3-4-15(21)10-16)18-12-22-11-17(19(14)18)20(26)24-6-8-27-9-7-24/h3-5,10-13H,6-9H2,1-2H3.
What are the key properties of [1-(3-chloro-N-methylanilino)-3-methylpyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone?
[1-(3-chloro-N-methylanilino)-3-methylpyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 384.87 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-N-methylanilino)-3-methylpyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 68866066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).