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

C33H39Cl2N3O3 — CID 56955101

IUPACN-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-4-oxochromene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C33H38ClN3O3.ClH/c34-23-17-18-25-28(21-23)37-27-15-9-7-13-24(27)32(25)35-19-11-5-3-1-2-4-6-12-20-36-33(39)31-22-29(38)26-14-8-10-16-30(26)40-31;/h8,10,14,16-18,21-22H,1-7,9,11-13,15,19-20H2,(H,35,37)(H,36,39);1H
InChIKeyXAKLRCAVWWUIPM-UHFFFAOYSA-N
MW596.60 g/mol
LogP8.26
Rot. Bonds13

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

N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-4-oxochromene-2-carboxamide;hydrochloride (PubChem CID 56955101) has the molecular formula C33H39Cl2N3O3 and a molecular weight of 596.60 g/mol. Its IUPAC name is N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-4-oxochromene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-4-oxochromene-2-carboxamide;hydrochloride
PubChem CID56955101
Molecular FormulaC33H39Cl2N3O3
Molecular Weight596.60 g/mol
Exact Mass595.24
IUPAC NameN-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-4-oxochromene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C33H38ClN3O3.ClH/c34-23-17-18-25-28(21-23)37-27-15-9-7-13-24(27)32(25)35-19-11-5-3-1-2-4-6-12-20-36-33(39)31-22-29(38)26-14-8-10-16-30(26)40-31;/h8,10,14,16-18,21-22H,1-7,9,11-13,15,19-20H2,(H,35,37)(H,36,39);1H
InChIKeyXAKLRCAVWWUIPM-UHFFFAOYSA-N
XLogP8.26
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.60
LogP ≤ 58.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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]-4-oxochromene-2-carboxamide;hydrochloride?
The IUPAC name of N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-4-oxochromene-2-carboxamide;hydrochloride (CID 56955101) is N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-4-oxochromene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-4-oxochromene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-4-oxochromene-2-carboxamide;hydrochloride is Cl.O=C(NCCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-4-oxochromene-2-carboxamide;hydrochloride?
The InChIKey is XAKLRCAVWWUIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38ClN3O3.ClH/c34-23-17-18-25-28(21-23)37-27-15-9-7-13-24(27)32(25)35-19-11-5-3-1-2-4-6-12-20-36-33(39)31-22-29(38)26-14-8-10-16-30(26)40-31;/h8,10,14,16-18,21-22H,1-7,9,11-13,15,19-20H2,(H,35,37)(H,36,39);1H.
What are the key properties of N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-4-oxochromene-2-carboxamide;hydrochloride?
N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-4-oxochromene-2-carboxamide;hydrochloride has a molecular weight of 596.60 g/mol, XLogP of 8.26, 13 rotatable bonds, 2 hydrogen bond donors, and 5 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]-4-oxochromene-2-carboxamide;hydrochloride is sourced from PubChem (CID 56955101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).