6-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C25H29ClN4O — CID 24989831

IUPAC6-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCC(NCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)C2
InChIInChI=1S/C25H29ClN4O/c26-17-7-9-20-23(15-17)29-22-5-2-1-4-19(22)25(20)28-13-3-12-27-18-8-10-21-16(14-18)6-11-24(31)30-21/h6-7,9,11,15,18,27H,1-5,8,10,12-14H2,(H,28,29)(H,30,31)
InChIKeyBUAMEGRAPHLCJR-UHFFFAOYSA-N
MW436.99 g/mol
LogP4.40
Rot. Bonds6

About 6-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

6-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 24989831) has the molecular formula C25H29ClN4O and a molecular weight of 436.99 g/mol. Its IUPAC name is 6-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID24989831
Molecular FormulaC25H29ClN4O
Molecular Weight436.99 g/mol
Exact Mass436.20
IUPAC Name6-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCC(NCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)C2
InChIInChI=1S/C25H29ClN4O/c26-17-7-9-20-23(15-17)29-22-5-2-1-4-19(22)25(20)28-13-3-12-27-18-8-10-21-16(14-18)6-11-24(31)30-21/h6-7,9,11,15,18,27H,1-5,8,10,12-14H2,(H,28,29)(H,30,31)
InChIKeyBUAMEGRAPHLCJR-UHFFFAOYSA-N
XLogP4.40
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.99
LogP ≤ 54.40
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 6-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 6-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 24989831) is 6-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 6-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=c1ccc2c([nH]1)CCC(NCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)C2.
What is the InChIKey of 6-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is BUAMEGRAPHLCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O/c26-17-7-9-20-23(15-17)29-22-5-2-1-4-19(22)25(20)28-13-3-12-27-18-8-10-21-16(14-18)6-11-24(31)30-21/h6-7,9,11,15,18,27H,1-5,8,10,12-14H2,(H,28,29)(H,30,31).
What are the key properties of 6-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
6-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 436.99 g/mol, XLogP of 4.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 24989831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).