4-methyl-N-[4-[2-[3-(4-methylpiperazin-1-yl)propylamino]-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]benzamide;2-phenoxy-N-[4-[2-(3-pyrrolidin-1-ylpropylamino)-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]acetamide

C67H73N11O3 — CID 159846010

About 4-methyl-N-[4-[2-[3-(4-methylpiperazin-1-yl)propylamino]-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]benzamide;2-phenoxy-N-[4-[2-(3-pyrrolidin-1-ylpropylamino)-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]acetamide

4-methyl-N-[4-[2-[3-(4-methylpiperazin-1-yl)propylamino]-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]benzamide;2-phenoxy-N-[4-[2-(3-pyrrolidin-1-ylpropylamino)-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]acetamide (PubChem CID 159846010) has the molecular formula C67H73N11O3 and a molecular weight of 1080.40 g/mol. Its IUPAC name is 4-methyl-N-[4-[2-[3-(4-methylpiperazin-1-yl)propylamino]-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]benzamide;2-phenoxy-N-[4-[2-(3-pyrrolidin-1-ylpropylamino)-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: 4-methyl-N-[4-[2-[3-(4-methylpiperazin-1-yl)propylamino]-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]benzamide;2-phenoxy-N-[4-[2-(3-pyrrolidin-1-ylpropylamino)-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]acetamide
• PubChem CID: 159846010
• Molecular Formula: C67H73N11O3
• Molecular Weight: 1080.40 g/mol
• Exact Mass: 1079.59
• IUPAC Name: 4-methyl-N-[4-[2-[3-(4-methylpiperazin-1-yl)propylamino]-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]benzamide;2-phenoxy-N-[4-[2-(3-pyrrolidin-1-ylpropylamino)-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]acetamide
• SMILES: Cc1ccc(C(=O)Nc2ccc(C3Cc4cnc(NCCCN5CCN(C)CC5)nc4-c4ccccc43)cc2)cc1.O=C(COc1ccccc1)Nc1ccc(C2Cc3cnc(NCCCN4CCCC4)nc3-c3ccccc32)cc1
• InChI: InChI=1S/C34H38N6O.C33H35N5O2/c1-24-8-10-26(11-9-24)33(41)37-28-14-12-25(13-15-28)31-22-27-23-36-34(38-32(27)30-7-4-3-6-29(30)31)35-16-5-17-40-20-18-39(2)19-21-40;39-31(23-40-27-9-2-1-3-10-27)36-26-15-13-24(14-16-26)30-21-25-22-35-33(34-17-8-20-38-18-6-7-19-38)37-32(25)29-12-5-4-11-28(29)30/h3-4,6-15,23,31H,5,16-22H2,1-2H3,(H,37,41)(H,35,36,38);1-5,9-16,22,30H,6-8,17-21,23H2,(H,36,39)(H,34,35,37)
• InChIKey: NPHSJHKFWPZUHI-UHFFFAOYSA-N
• XLogP: 11.19
• TPSA: 152.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1080.40
LogP ≤ 5	11.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[2-[3-(4-methylpiperazin-1-yl)propylamino]-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]benzamide;2-phenoxy-N-[4-[2-(3-pyrrolidin-1-ylpropylamino)-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]acetamide?

The IUPAC name of 4-methyl-N-[4-[2-[3-(4-methylpiperazin-1-yl)propylamino]-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]benzamide;2-phenoxy-N-[4-[2-(3-pyrrolidin-1-ylpropylamino)-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]acetamide (CID 159846010) is 4-methyl-N-[4-[2-[3-(4-methylpiperazin-1-yl)propylamino]-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]benzamide;2-phenoxy-N-[4-[2-(3-pyrrolidin-1-ylpropylamino)-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]acetamide.

What is the SMILES notation for 4-methyl-N-[4-[2-[3-(4-methylpiperazin-1-yl)propylamino]-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]benzamide;2-phenoxy-N-[4-[2-(3-pyrrolidin-1-ylpropylamino)-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]acetamide?

The canonical SMILES for 4-methyl-N-[4-[2-[3-(4-methylpiperazin-1-yl)propylamino]-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]benzamide;2-phenoxy-N-[4-[2-(3-pyrrolidin-1-ylpropylamino)-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]acetamide is Cc1ccc(C(=O)Nc2ccc(C3Cc4cnc(NCCCN5CCN(C)CC5)nc4-c4ccccc43)cc2)cc1.O=C(COc1ccccc1)Nc1ccc(C2Cc3cnc(NCCCN4CCCC4)nc3-c3ccccc32)cc1.

What is the InChIKey of 4-methyl-N-[4-[2-[3-(4-methylpiperazin-1-yl)propylamino]-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]benzamide;2-phenoxy-N-[4-[2-(3-pyrrolidin-1-ylpropylamino)-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]acetamide?

The InChIKey is NPHSJHKFWPZUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N6O.C33H35N5O2/c1-24-8-10-26(11-9-24)33(41)37-28-14-12-25(13-15-28)31-22-27-23-36-34(38-32(27)30-7-4-3-6-29(30)31)35-16-5-17-40-20-18-39(2)19-21-40;39-31(23-40-27-9-2-1-3-10-27)36-26-15-13-24(14-16-26)30-21-25-22-35-33(34-17-8-20-38-18-6-7-19-38)37-32(25)29-12-5-4-11-28(29)30/h3-4,6-15,23,31H,5,16-22H2,1-2H3,(H,37,41)(H,35,36,38);1-5,9-16,22,30H,6-8,17-21,23H2,(H,36,39)(H,34,35,37).

What are the key properties of 4-methyl-N-[4-[2-[3-(4-methylpiperazin-1-yl)propylamino]-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]benzamide;2-phenoxy-N-[4-[2-(3-pyrrolidin-1-ylpropylamino)-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]acetamide?

4-methyl-N-[4-[2-[3-(4-methylpiperazin-1-yl)propylamino]-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]benzamide;2-phenoxy-N-[4-[2-(3-pyrrolidin-1-ylpropylamino)-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]acetamide has a molecular weight of 1080.40 g/mol, XLogP of 11.19, 18 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[4-[2-[3-(4-methylpiperazin-1-yl)propylamino]-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]benzamide;2-phenoxy-N-[4-[2-(3-pyrrolidin-1-ylpropylamino)-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]acetamide is sourced from PubChem (CID 159846010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).