2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]propanamide;propanoyl chloride

C38H41ClN12O2 — CID 159840705

About 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]propanamide;propanoyl chloride

2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]propanamide;propanoyl chloride (PubChem CID 159840705) has the molecular formula C38H41ClN12O2 and a molecular weight of 733.28 g/mol. Its IUPAC name is 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]propanamide;propanoyl chloride.

Molecular Properties

• Compound Name: 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]propanamide;propanoyl chloride
• PubChem CID: 159840705
• Molecular Formula: C38H41ClN12O2
• Molecular Weight: 733.28 g/mol
• Exact Mass: 732.32
• IUPAC Name: 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]propanamide;propanoyl chloride
• SMILES: CCC(=O)Cl.CCC(=O)NCCc1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2[nH]1.NCCc1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2[nH]1
• InChI: InChI=1S/C19H20N6O.C16H16N6.C3H5ClO/c1-2-17(26)21-7-5-12-10-14-18(23-12)13-4-3-11(15-6-8-22-25-15)9-16(13)24-19(14)20;17-5-3-10-8-12-15(20-10)11-2-1-9(13-4-6-19-22-13)7-14(11)21-16(12)18;1-2-3(4)5/h3-4,6,8-10,23H,2,5,7H2,1H3,(H2,20,24)(H,21,26)(H,22,25);1-2,4,6-8,20H,3,5,17H2,(H2,18,21)(H,19,22);2H2,1H3
• InChIKey: NOQHPKLDDWDHGG-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 238.95 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	733.28
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]propanamide;propanoyl chloride?

The IUPAC name of 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]propanamide;propanoyl chloride (CID 159840705) is 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]propanamide;propanoyl chloride.

What is the SMILES notation for 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]propanamide;propanoyl chloride?

The canonical SMILES for 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]propanamide;propanoyl chloride is CCC(=O)Cl.CCC(=O)NCCc1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2[nH]1.NCCc1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2[nH]1.

What is the InChIKey of 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]propanamide;propanoyl chloride?

The InChIKey is NOQHPKLDDWDHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O.C16H16N6.C3H5ClO/c1-2-17(26)21-7-5-12-10-14-18(23-12)13-4-3-11(15-6-8-22-25-15)9-16(13)24-19(14)20;17-5-3-10-8-12-15(20-10)11-2-1-9(13-4-6-19-22-13)7-14(11)21-16(12)18;1-2-3(4)5/h3-4,6,8-10,23H,2,5,7H2,1H3,(H2,20,24)(H,21,26)(H,22,25);1-2,4,6-8,20H,3,5,17H2,(H2,18,21)(H,19,22);2H2,1H3.

What are the key properties of 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]propanamide;propanoyl chloride?

2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]propanamide;propanoyl chloride has a molecular weight of 733.28 g/mol, XLogP of 6.11, 9 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]propanamide;propanoyl chloride is sourced from PubChem (CID 159840705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).