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

C33H39Cl2N3O4 — CID 56955105

IUPACN-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-6-hydroxy-4-oxochromene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1cc(=O)c2cc(O)ccc2o1
InChIInChI=1S/C33H38ClN3O4.ClH/c34-22-13-15-25-28(19-22)37-27-12-8-7-11-24(27)32(25)35-17-9-5-3-1-2-4-6-10-18-36-33(40)31-21-29(39)26-20-23(38)14-16-30(26)41-31;/h13-16,19-21,38H,1-12,17-18H2,(H,35,37)(H,36,40);1H
InChIKeyUOCBCXHWOMTSDZ-UHFFFAOYSA-N
MW612.60 g/mol
LogP7.96
Rot. Bonds13

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

N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-6-hydroxy-4-oxochromene-2-carboxamide;hydrochloride (PubChem CID 56955105) has the molecular formula C33H39Cl2N3O4 and a molecular weight of 612.60 g/mol. Its IUPAC name is N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-6-hydroxy-4-oxochromene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-6-hydroxy-4-oxochromene-2-carboxamide;hydrochloride
PubChem CID56955105
Molecular FormulaC33H39Cl2N3O4
Molecular Weight612.60 g/mol
Exact Mass611.23
IUPAC NameN-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-6-hydroxy-4-oxochromene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1cc(=O)c2cc(O)ccc2o1
InChIInChI=1S/C33H38ClN3O4.ClH/c34-22-13-15-25-28(19-22)37-27-12-8-7-11-24(27)32(25)35-17-9-5-3-1-2-4-6-10-18-36-33(40)31-21-29(39)26-20-23(38)14-16-30(26)41-31;/h13-16,19-21,38H,1-12,17-18H2,(H,35,37)(H,36,40);1H
InChIKeyUOCBCXHWOMTSDZ-UHFFFAOYSA-N
XLogP7.96
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.60
LogP ≤ 57.96
H-Bond Donors ≤ 53
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-hydroxy-4-oxochromene-2-carboxamide;hydrochloride?
The IUPAC name of N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-6-hydroxy-4-oxochromene-2-carboxamide;hydrochloride (CID 56955105) is N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-6-hydroxy-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-hydroxy-4-oxochromene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-6-hydroxy-4-oxochromene-2-carboxamide;hydrochloride is Cl.O=C(NCCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1cc(=O)c2cc(O)ccc2o1.
What is the InChIKey of N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-6-hydroxy-4-oxochromene-2-carboxamide;hydrochloride?
The InChIKey is UOCBCXHWOMTSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38ClN3O4.ClH/c34-22-13-15-25-28(19-22)37-27-12-8-7-11-24(27)32(25)35-17-9-5-3-1-2-4-6-10-18-36-33(40)31-21-29(39)26-20-23(38)14-16-30(26)41-31;/h13-16,19-21,38H,1-12,17-18H2,(H,35,37)(H,36,40);1H.
What are the key properties of N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-6-hydroxy-4-oxochromene-2-carboxamide;hydrochloride?
N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-6-hydroxy-4-oxochromene-2-carboxamide;hydrochloride has a molecular weight of 612.60 g/mol, XLogP of 7.96, 13 rotatable bonds, 3 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-hydroxy-4-oxochromene-2-carboxamide;hydrochloride is sourced from PubChem (CID 56955105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).