N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-6-methoxy-4-oxochromene-2-carboxamide;hydrochloride

C34H41Cl2N3O4 — CID 56955104

IUPACN-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-6-methoxy-4-oxochromene-2-carboxamide;hydrochloride
SMILESCOc1ccc2oc(C(=O)NCCCCCCCCCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)cc(=O)c2c1.Cl
InChIInChI=1S/C34H40ClN3O4.ClH/c1-41-24-15-17-31-27(21-24)30(39)22-32(42-31)34(40)37-19-11-7-5-3-2-4-6-10-18-36-33-25-12-8-9-13-28(25)38-29-20-23(35)14-16-26(29)33;/h14-17,20-22H,2-13,18-19H2,1H3,(H,36,38)(H,37,40);1H
InChIKeyMUEBLLUHIUUWPE-UHFFFAOYSA-N
MW626.63 g/mol
LogP8.27
Rot. Bonds14

About N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-6-methoxy-4-oxochromene-2-carboxamide;hydrochloride

N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-6-methoxy-4-oxochromene-2-carboxamide;hydrochloride (PubChem CID 56955104) has the molecular formula C34H41Cl2N3O4 and a molecular weight of 626.63 g/mol. Its IUPAC name is N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-6-methoxy-4-oxochromene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-6-methoxy-4-oxochromene-2-carboxamide;hydrochloride
PubChem CID56955104
Molecular FormulaC34H41Cl2N3O4
Molecular Weight626.63 g/mol
Exact Mass625.25
IUPAC NameN-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-6-methoxy-4-oxochromene-2-carboxamide;hydrochloride
SMILESCOc1ccc2oc(C(=O)NCCCCCCCCCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)cc(=O)c2c1.Cl
InChIInChI=1S/C34H40ClN3O4.ClH/c1-41-24-15-17-31-27(21-24)30(39)22-32(42-31)34(40)37-19-11-7-5-3-2-4-6-10-18-36-33-25-12-8-9-13-28(25)38-29-20-23(35)14-16-26(29)33;/h14-17,20-22H,2-13,18-19H2,1H3,(H,36,38)(H,37,40);1H
InChIKeyMUEBLLUHIUUWPE-UHFFFAOYSA-N
XLogP8.27
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.63
LogP ≤ 58.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-6-methoxy-4-oxochromene-2-carboxamide;hydrochloride?
The IUPAC name of N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-6-methoxy-4-oxochromene-2-carboxamide;hydrochloride (CID 56955104) is N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-6-methoxy-4-oxochromene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-6-methoxy-4-oxochromene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-6-methoxy-4-oxochromene-2-carboxamide;hydrochloride is COc1ccc2oc(C(=O)NCCCCCCCCCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)cc(=O)c2c1.Cl.
What is the InChIKey of N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-6-methoxy-4-oxochromene-2-carboxamide;hydrochloride?
The InChIKey is MUEBLLUHIUUWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40ClN3O4.ClH/c1-41-24-15-17-31-27(21-24)30(39)22-32(42-31)34(40)37-19-11-7-5-3-2-4-6-10-18-36-33-25-12-8-9-13-28(25)38-29-20-23(35)14-16-26(29)33;/h14-17,20-22H,2-13,18-19H2,1H3,(H,36,38)(H,37,40);1H.
What are the key properties of N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-6-methoxy-4-oxochromene-2-carboxamide;hydrochloride?
N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-6-methoxy-4-oxochromene-2-carboxamide;hydrochloride has a molecular weight of 626.63 g/mol, XLogP of 8.27, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-6-methoxy-4-oxochromene-2-carboxamide;hydrochloride is sourced from PubChem (CID 56955104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).