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

C19H19ClN4O2 — CID 11501580

IUPAC[4-(3-chloroanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone
SMILESCn1ccc2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c21
InChIInChI=1S/C19H19ClN4O2/c1-23-6-5-15-17(23)16(19(25)24-7-9-26-10-8-24)12-21-18(15)22-14-4-2-3-13(20)11-14/h2-6,11-12H,7-10H2,1H3,(H,21,22)
InChIKeyVARGWBUXBMFVJN-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.44
Rot. Bonds3

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

[4-(3-chloroanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone (PubChem CID 11501580) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is [4-(3-chloroanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(3-chloroanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone
PubChem CID11501580
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name[4-(3-chloroanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone
SMILESCn1ccc2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c21
InChIInChI=1S/C19H19ClN4O2/c1-23-6-5-15-17(23)16(19(25)24-7-9-26-10-8-24)12-21-18(15)22-14-4-2-3-13(20)11-14/h2-6,11-12H,7-10H2,1H3,(H,21,22)
InChIKeyVARGWBUXBMFVJN-UHFFFAOYSA-N
XLogP3.44
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chloroanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(3-chloroanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone (CID 11501580) is [4-(3-chloroanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(3-chloroanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(3-chloroanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone is Cn1ccc2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c21.
What is the InChIKey of [4-(3-chloroanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone?
The InChIKey is VARGWBUXBMFVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-23-6-5-15-17(23)16(19(25)24-7-9-26-10-8-24)12-21-18(15)22-14-4-2-3-13(20)11-14/h2-6,11-12H,7-10H2,1H3,(H,21,22).
What are the key properties of [4-(3-chloroanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone?
[4-(3-chloroanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone has a molecular weight of 370.84 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloroanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 11501580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).