N-(5-chloro-2-methoxyphenyl)-2-[10-[[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]amino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide

C30H37ClN6O3 — CID 53465011

About N-(5-chloro-2-methoxyphenyl)-2-[10-[[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]amino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[10-[[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]amino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide (PubChem CID 53465011) has the molecular formula C30H37ClN6O3 and a molecular weight of 565.12 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[10-[[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]amino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-methoxyphenyl)-2-[10-[[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]amino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide
• PubChem CID: 53465011
• Molecular Formula: C30H37ClN6O3
• Molecular Weight: 565.12 g/mol
• Exact Mass: 564.26
• IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[10-[[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]amino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide
• SMILES: COc1ccc(Cl)cc1NC(=O)CN1CCc2nc3ccccc3c(NCC(=O)N3CCN(C(C)C)CC3)c2C1
• InChI: InChI=1S/C30H37ClN6O3/c1-20(2)36-12-14-37(15-13-36)29(39)17-32-30-22-6-4-5-7-24(22)33-25-10-11-35(18-23(25)30)19-28(38)34-26-16-21(31)8-9-27(26)40-3/h4-9,16,20H,10-15,17-19H2,1-3H3,(H,32,33)(H,34,38)
• InChIKey: HGXQWRZCCZTMLA-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 90.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.12
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[10-[[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]amino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide?

The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[10-[[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]amino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide (CID 53465011) is N-(5-chloro-2-methoxyphenyl)-2-[10-[[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]amino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide.

What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[10-[[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]amino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide?

The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[10-[[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]amino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide is COc1ccc(Cl)cc1NC(=O)CN1CCc2nc3ccccc3c(NCC(=O)N3CCN(C(C)C)CC3)c2C1.

What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[10-[[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]amino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide?

The InChIKey is HGXQWRZCCZTMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37ClN6O3/c1-20(2)36-12-14-37(15-13-36)29(39)17-32-30-22-6-4-5-7-24(22)33-25-10-11-35(18-23(25)30)19-28(38)34-26-16-21(31)8-9-27(26)40-3/h4-9,16,20H,10-15,17-19H2,1-3H3,(H,32,33)(H,34,38).

What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[10-[[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]amino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide?

N-(5-chloro-2-methoxyphenyl)-2-[10-[[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]amino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide has a molecular weight of 565.12 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-methoxyphenyl)-2-[10-[[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]amino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide is sourced from PubChem (CID 53465011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).