N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]acridine-9-carboxamide

C32H32N4O — CID 155521926

IUPACN-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]acridine-9-carboxamide
SMILESO=C(NCCCCCNc1c2c(nc3ccccc13)CCCC2)c1c2ccccc2nc2ccccc12
InChIInChI=1S/C32H32N4O/c37-32(30-22-12-2-6-16-26(22)35-27-17-7-3-13-23(27)30)34-21-11-1-10-20-33-31-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)31/h2-4,6-8,12-14,16-18H,1,5,9-11,15,19-21H2,(H,33,36)(H,34,37)
InChIKeyOJFBQFBFSCUBRR-UHFFFAOYSA-N
MW488.64 g/mol
LogP6.83
Rot. Bonds8

About N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]acridine-9-carboxamide

N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]acridine-9-carboxamide (PubChem CID 155521926) has the molecular formula C32H32N4O and a molecular weight of 488.64 g/mol. Its IUPAC name is N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]acridine-9-carboxamide.

Molecular Properties

Compound NameN-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]acridine-9-carboxamide
PubChem CID155521926
Molecular FormulaC32H32N4O
Molecular Weight488.64 g/mol
Exact Mass488.26
IUPAC NameN-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]acridine-9-carboxamide
SMILESO=C(NCCCCCNc1c2c(nc3ccccc13)CCCC2)c1c2ccccc2nc2ccccc12
InChIInChI=1S/C32H32N4O/c37-32(30-22-12-2-6-16-26(22)35-27-17-7-3-13-23(27)30)34-21-11-1-10-20-33-31-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)31/h2-4,6-8,12-14,16-18H,1,5,9-11,15,19-21H2,(H,33,36)(H,34,37)
InChIKeyOJFBQFBFSCUBRR-UHFFFAOYSA-N
XLogP6.83
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.64
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]acridine-9-carboxamide?
The IUPAC name of N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]acridine-9-carboxamide (CID 155521926) is N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]acridine-9-carboxamide.
What is the SMILES notation for N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]acridine-9-carboxamide?
The canonical SMILES for N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]acridine-9-carboxamide is O=C(NCCCCCNc1c2c(nc3ccccc13)CCCC2)c1c2ccccc2nc2ccccc12.
What is the InChIKey of N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]acridine-9-carboxamide?
The InChIKey is OJFBQFBFSCUBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O/c37-32(30-22-12-2-6-16-26(22)35-27-17-7-3-13-23(27)30)34-21-11-1-10-20-33-31-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)31/h2-4,6-8,12-14,16-18H,1,5,9-11,15,19-21H2,(H,33,36)(H,34,37).
What are the key properties of N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]acridine-9-carboxamide?
N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]acridine-9-carboxamide has a molecular weight of 488.64 g/mol, XLogP of 6.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]acridine-9-carboxamide is sourced from PubChem (CID 155521926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).