formic acid;4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]-2-quinolin-7-ylquinoline

C27H30N4O2 — CID 171708321

IUPACformic acid;4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]-2-quinolin-7-ylquinoline
SMILESCc1cc(-c2ccc3cccnc3c2)nc2ccc(CCN3CCN(C)CC3)cc12.O=CO
InChIInChI=1S/C26H28N4.CH2O2/c1-19-16-26(22-7-6-21-4-3-10-27-25(21)18-22)28-24-8-5-20(17-23(19)24)9-11-30-14-12-29(2)13-15-30;2-1-3/h3-8,10,16-18H,9,11-15H2,1-2H3;1H,(H,2,3)
InChIKeyIXIXTCGHGIECGI-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.25
Rot. Bonds4

About formic acid;4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]-2-quinolin-7-ylquinoline

formic acid;4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]-2-quinolin-7-ylquinoline (PubChem CID 171708321) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is formic acid;4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]-2-quinolin-7-ylquinoline.

Molecular Properties

Compound Nameformic acid;4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]-2-quinolin-7-ylquinoline
PubChem CID171708321
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Nameformic acid;4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]-2-quinolin-7-ylquinoline
SMILESCc1cc(-c2ccc3cccnc3c2)nc2ccc(CCN3CCN(C)CC3)cc12.O=CO
InChIInChI=1S/C26H28N4.CH2O2/c1-19-16-26(22-7-6-21-4-3-10-27-25(21)18-22)28-24-8-5-20(17-23(19)24)9-11-30-14-12-29(2)13-15-30;2-1-3/h3-8,10,16-18H,9,11-15H2,1-2H3;1H,(H,2,3)
InChIKeyIXIXTCGHGIECGI-UHFFFAOYSA-N
XLogP4.25
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]-2-quinolin-7-ylquinoline?
The IUPAC name of formic acid;4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]-2-quinolin-7-ylquinoline (CID 171708321) is formic acid;4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]-2-quinolin-7-ylquinoline.
What is the SMILES notation for formic acid;4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]-2-quinolin-7-ylquinoline?
The canonical SMILES for formic acid;4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]-2-quinolin-7-ylquinoline is Cc1cc(-c2ccc3cccnc3c2)nc2ccc(CCN3CCN(C)CC3)cc12.O=CO.
What is the InChIKey of formic acid;4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]-2-quinolin-7-ylquinoline?
The InChIKey is IXIXTCGHGIECGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4.CH2O2/c1-19-16-26(22-7-6-21-4-3-10-27-25(21)18-22)28-24-8-5-20(17-23(19)24)9-11-30-14-12-29(2)13-15-30;2-1-3/h3-8,10,16-18H,9,11-15H2,1-2H3;1H,(H,2,3).
What are the key properties of formic acid;4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]-2-quinolin-7-ylquinoline?
formic acid;4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]-2-quinolin-7-ylquinoline has a molecular weight of 442.56 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]-2-quinolin-7-ylquinoline is sourced from PubChem (CID 171708321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).