5-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C30H40N4O — CID 24989833

IUPAC5-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NCCCCCCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C30H40N4O/c35-29-19-18-22-25(16-11-17-26(22)34-29)31-20-9-3-1-2-4-10-21-32-30-23-12-5-7-14-27(23)33-28-15-8-6-13-24(28)30/h5,7,12,14,18-19,25,31H,1-4,6,8-11,13,15-17,20-21H2,(H,32,33)(H,34,35)
InChIKeyVMWJYELDLWZZHX-UHFFFAOYSA-N
MW472.68 g/mol
LogP6.22
Rot. Bonds11

About 5-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 24989833) has the molecular formula C30H40N4O and a molecular weight of 472.68 g/mol. Its IUPAC name is 5-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID24989833
Molecular FormulaC30H40N4O
Molecular Weight472.68 g/mol
Exact Mass472.32
IUPAC Name5-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NCCCCCCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C30H40N4O/c35-29-19-18-22-25(16-11-17-26(22)34-29)31-20-9-3-1-2-4-10-21-32-30-23-12-5-7-14-27(23)33-28-15-8-6-13-24(28)30/h5,7,12,14,18-19,25,31H,1-4,6,8-11,13,15-17,20-21H2,(H,32,33)(H,34,35)
InChIKeyVMWJYELDLWZZHX-UHFFFAOYSA-N
XLogP6.22
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.68
LogP ≤ 56.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 24989833) is 5-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=c1ccc2c([nH]1)CCCC2NCCCCCCCCNc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of 5-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is VMWJYELDLWZZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O/c35-29-19-18-22-25(16-11-17-26(22)34-29)31-20-9-3-1-2-4-10-21-32-30-23-12-5-7-14-27(23)33-28-15-8-6-13-24(28)30/h5,7,12,14,18-19,25,31H,1-4,6,8-11,13,15-17,20-21H2,(H,32,33)(H,34,35).
What are the key properties of 5-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 472.68 g/mol, XLogP of 6.22, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 24989833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).