N-[[2-(propylaminomethyl)-7,7a-dihydroquinolino[3,2-a]acridin-11-yl]methyl]propan-1-amine

C28H32N4 — CID 163682656

IUPACN-[[2-(propylaminomethyl)-7,7a-dihydroquinolino[3,2-a]acridin-11-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc2c(c1)=CC1=c3cc4cc(CNCCC)ccc4nc3=CCC1N=2
InChIInChI=1S/C28H32N4/c1-3-11-29-17-19-5-7-25-21(13-19)15-23-24-16-22-14-20(18-30-12-4-2)6-8-26(22)32-28(24)10-9-27(23)31-25/h5-9,13-16,28-30H,3-4,10-12,17-18H2,1-2H3
InChIKeyJMCOYMBQESDADM-UHFFFAOYSA-N
MW424.59 g/mol
LogP2.05
Rot. Bonds8

About N-[[2-(propylaminomethyl)-7,7a-dihydroquinolino[3,2-a]acridin-11-yl]methyl]propan-1-amine

N-[[2-(propylaminomethyl)-7,7a-dihydroquinolino[3,2-a]acridin-11-yl]methyl]propan-1-amine (PubChem CID 163682656) has the molecular formula C28H32N4 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[[2-(propylaminomethyl)-7,7a-dihydroquinolino[3,2-a]acridin-11-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(propylaminomethyl)-7,7a-dihydroquinolino[3,2-a]acridin-11-yl]methyl]propan-1-amine
PubChem CID163682656
Molecular FormulaC28H32N4
Molecular Weight424.59 g/mol
Exact Mass424.26
IUPAC NameN-[[2-(propylaminomethyl)-7,7a-dihydroquinolino[3,2-a]acridin-11-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc2c(c1)=CC1=c3cc4cc(CNCCC)ccc4nc3=CCC1N=2
InChIInChI=1S/C28H32N4/c1-3-11-29-17-19-5-7-25-21(13-19)15-23-24-16-22-14-20(18-30-12-4-2)6-8-26(22)32-28(24)10-9-27(23)31-25/h5-9,13-16,28-30H,3-4,10-12,17-18H2,1-2H3
InChIKeyJMCOYMBQESDADM-UHFFFAOYSA-N
XLogP2.05
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(propylaminomethyl)-7,7a-dihydroquinolino[3,2-a]acridin-11-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(propylaminomethyl)-7,7a-dihydroquinolino[3,2-a]acridin-11-yl]methyl]propan-1-amine (CID 163682656) is N-[[2-(propylaminomethyl)-7,7a-dihydroquinolino[3,2-a]acridin-11-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(propylaminomethyl)-7,7a-dihydroquinolino[3,2-a]acridin-11-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(propylaminomethyl)-7,7a-dihydroquinolino[3,2-a]acridin-11-yl]methyl]propan-1-amine is CCCNCc1ccc2c(c1)=CC1=c3cc4cc(CNCCC)ccc4nc3=CCC1N=2.
What is the InChIKey of N-[[2-(propylaminomethyl)-7,7a-dihydroquinolino[3,2-a]acridin-11-yl]methyl]propan-1-amine?
The InChIKey is JMCOYMBQESDADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4/c1-3-11-29-17-19-5-7-25-21(13-19)15-23-24-16-22-14-20(18-30-12-4-2)6-8-26(22)32-28(24)10-9-27(23)31-25/h5-9,13-16,28-30H,3-4,10-12,17-18H2,1-2H3.
What are the key properties of N-[[2-(propylaminomethyl)-7,7a-dihydroquinolino[3,2-a]acridin-11-yl]methyl]propan-1-amine?
N-[[2-(propylaminomethyl)-7,7a-dihydroquinolino[3,2-a]acridin-11-yl]methyl]propan-1-amine has a molecular weight of 424.59 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(propylaminomethyl)-7,7a-dihydroquinolino[3,2-a]acridin-11-yl]methyl]propan-1-amine is sourced from PubChem (CID 163682656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).