4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N-(cyclopropylmethyl)-1-N-methylpentane-1,4-diamine

C24H30ClN3O — CID 71471956

IUPAC4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N-(cyclopropylmethyl)-1-N-methylpentane-1,4-diamine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(NC(C)CCCN(C)CC3CC3)c2c1
InChIInChI=1S/C24H30ClN3O/c1-16(5-4-12-28(2)15-17-6-7-17)26-24-20-10-8-18(25)13-23(20)27-22-11-9-19(29-3)14-21(22)24/h8-11,13-14,16-17H,4-7,12,15H2,1-3H3,(H,26,27)
InChIKeyLHDMTOBDFCJUBI-UHFFFAOYSA-N
MW411.98 g/mol
LogP5.97
Rot. Bonds9

About 4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N-(cyclopropylmethyl)-1-N-methylpentane-1,4-diamine

4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N-(cyclopropylmethyl)-1-N-methylpentane-1,4-diamine (PubChem CID 71471956) has the molecular formula C24H30ClN3O and a molecular weight of 411.98 g/mol. Its IUPAC name is 4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N-(cyclopropylmethyl)-1-N-methylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N-(cyclopropylmethyl)-1-N-methylpentane-1,4-diamine
PubChem CID71471956
Molecular FormulaC24H30ClN3O
Molecular Weight411.98 g/mol
Exact Mass411.21
IUPAC Name4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N-(cyclopropylmethyl)-1-N-methylpentane-1,4-diamine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(NC(C)CCCN(C)CC3CC3)c2c1
InChIInChI=1S/C24H30ClN3O/c1-16(5-4-12-28(2)15-17-6-7-17)26-24-20-10-8-18(25)13-23(20)27-22-11-9-19(29-3)14-21(22)24/h8-11,13-14,16-17H,4-7,12,15H2,1-3H3,(H,26,27)
InChIKeyLHDMTOBDFCJUBI-UHFFFAOYSA-N
XLogP5.97
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.98
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', '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 4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N-(cyclopropylmethyl)-1-N-methylpentane-1,4-diamine?
The IUPAC name of 4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N-(cyclopropylmethyl)-1-N-methylpentane-1,4-diamine (CID 71471956) is 4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N-(cyclopropylmethyl)-1-N-methylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N-(cyclopropylmethyl)-1-N-methylpentane-1,4-diamine?
The canonical SMILES for 4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N-(cyclopropylmethyl)-1-N-methylpentane-1,4-diamine is COc1ccc2nc3cc(Cl)ccc3c(NC(C)CCCN(C)CC3CC3)c2c1.
What is the InChIKey of 4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N-(cyclopropylmethyl)-1-N-methylpentane-1,4-diamine?
The InChIKey is LHDMTOBDFCJUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O/c1-16(5-4-12-28(2)15-17-6-7-17)26-24-20-10-8-18(25)13-23(20)27-22-11-9-19(29-3)14-21(22)24/h8-11,13-14,16-17H,4-7,12,15H2,1-3H3,(H,26,27).
What are the key properties of 4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N-(cyclopropylmethyl)-1-N-methylpentane-1,4-diamine?
4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N-(cyclopropylmethyl)-1-N-methylpentane-1,4-diamine has a molecular weight of 411.98 g/mol, XLogP of 5.97, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N-(cyclopropylmethyl)-1-N-methylpentane-1,4-diamine is sourced from PubChem (CID 71471956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).