[7-(3-chloroanilino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone

C19H19ClN4O2 — CID 11689242

IUPAC[7-(3-chloroanilino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone
SMILESCc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12
InChIInChI=1S/C19H19ClN4O2/c1-12-10-21-17-16(12)15(19(25)24-5-7-26-8-6-24)11-22-18(17)23-14-4-2-3-13(20)9-14/h2-4,9-11,21H,5-8H2,1H3,(H,22,23)
InChIKeySFQQUBOFNDDLMP-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.74
Rot. Bonds3

About [7-(3-chloroanilino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone

[7-(3-chloroanilino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone (PubChem CID 11689242) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is [7-(3-chloroanilino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[7-(3-chloroanilino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone
PubChem CID11689242
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name[7-(3-chloroanilino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone
SMILESCc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12
InChIInChI=1S/C19H19ClN4O2/c1-12-10-21-17-16(12)15(19(25)24-5-7-26-8-6-24)11-22-18(17)23-14-4-2-3-13(20)9-14/h2-4,9-11,21H,5-8H2,1H3,(H,22,23)
InChIKeySFQQUBOFNDDLMP-UHFFFAOYSA-N
XLogP3.74
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [7-(3-chloroanilino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [7-(3-chloroanilino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone (CID 11689242) is [7-(3-chloroanilino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [7-(3-chloroanilino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [7-(3-chloroanilino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone is Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12.
What is the InChIKey of [7-(3-chloroanilino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is SFQQUBOFNDDLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-12-10-21-17-16(12)15(19(25)24-5-7-26-8-6-24)11-22-18(17)23-14-4-2-3-13(20)9-14/h2-4,9-11,21H,5-8H2,1H3,(H,22,23).
What are the key properties of [7-(3-chloroanilino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone?
[7-(3-chloroanilino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 370.84 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3-chloroanilino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 11689242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).