8-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylnaphthalen-1-yl)-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride

C32H31ClN6O — CID 44533497

About 8-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylnaphthalen-1-yl)-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride

8-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylnaphthalen-1-yl)-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride (PubChem CID 44533497) has the molecular formula C32H31ClN6O and a molecular weight of 551.09 g/mol. Its IUPAC name is 8-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylnaphthalen-1-yl)-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 8-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylnaphthalen-1-yl)-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride
• PubChem CID: 44533497
• Molecular Formula: C32H31ClN6O
• Molecular Weight: 551.09 g/mol
• Exact Mass: 550.22
• IUPAC Name: 8-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylnaphthalen-1-yl)-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride
• SMILES: CN1CCN(c2ccnc3cc4c(cc23)N(C(=O)Nc2ccc(-c3ccncc3)c3ccccc23)CC4)CC1.Cl
• InChI: InChI=1S/C32H30N6O.ClH/c1-36-16-18-37(19-17-36)30-10-14-34-29-20-23-11-15-38(31(23)21-27(29)30)32(39)35-28-7-6-24(22-8-12-33-13-9-22)25-4-2-3-5-26(25)28;/h2-10,12-14,20-21H,11,15-19H2,1H3,(H,35,39);1H
• InChIKey: BUUDBBVPKBZOIJ-UHFFFAOYSA-N
• XLogP: 6.22
• TPSA: 64.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.09
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylnaphthalen-1-yl)-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride?

The IUPAC name of 8-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylnaphthalen-1-yl)-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride (CID 44533497) is 8-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylnaphthalen-1-yl)-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride.

What is the SMILES notation for 8-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylnaphthalen-1-yl)-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride?

The canonical SMILES for 8-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylnaphthalen-1-yl)-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride is CN1CCN(c2ccnc3cc4c(cc23)N(C(=O)Nc2ccc(-c3ccncc3)c3ccccc23)CC4)CC1.Cl.

What is the InChIKey of 8-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylnaphthalen-1-yl)-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride?

The InChIKey is BUUDBBVPKBZOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N6O.ClH/c1-36-16-18-37(19-17-36)30-10-14-34-29-20-23-11-15-38(31(23)21-27(29)30)32(39)35-28-7-6-24(22-8-12-33-13-9-22)25-4-2-3-5-26(25)28;/h2-10,12-14,20-21H,11,15-19H2,1H3,(H,35,39);1H.

What are the key properties of 8-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylnaphthalen-1-yl)-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride?

8-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylnaphthalen-1-yl)-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride has a molecular weight of 551.09 g/mol, XLogP of 6.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylnaphthalen-1-yl)-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride is sourced from PubChem (CID 44533497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).