N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide

C32H40ClN3O3 — CID 122194885

IUPACN-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)O2
InChIInChI=1S/C32H40ClN3O3/c1-19-20(2)30-23(21(3)29(19)37)14-15-32(4,39-30)31(38)35-17-9-5-8-16-34-28-24-10-6-7-11-26(24)36-27-18-22(33)12-13-25(27)28/h12-13,18,37H,5-11,14-17H2,1-4H3,(H,34,36)(H,35,38)
InChIKeyUGEBTJZBDCKUJD-UHFFFAOYSA-N
MW550.14 g/mol
LogP6.88
Rot. Bonds8

About N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide

N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide (PubChem CID 122194885) has the molecular formula C32H40ClN3O3 and a molecular weight of 550.14 g/mol. Its IUPAC name is N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
PubChem CID122194885
Molecular FormulaC32H40ClN3O3
Molecular Weight550.14 g/mol
Exact Mass549.28
IUPAC NameN-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)O2
InChIInChI=1S/C32H40ClN3O3/c1-19-20(2)30-23(21(3)29(19)37)14-15-32(4,39-30)31(38)35-17-9-5-8-16-34-28-24-10-6-7-11-26(24)36-27-18-22(33)12-13-25(27)28/h12-13,18,37H,5-11,14-17H2,1-4H3,(H,34,36)(H,35,38)
InChIKeyUGEBTJZBDCKUJD-UHFFFAOYSA-N
XLogP6.88
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.14
LogP ≤ 56.88
H-Bond Donors ≤ 53
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-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
The IUPAC name of N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide (CID 122194885) is N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide.
What is the SMILES notation for N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
The canonical SMILES for N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide is Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)O2.
What is the InChIKey of N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
The InChIKey is UGEBTJZBDCKUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40ClN3O3/c1-19-20(2)30-23(21(3)29(19)37)14-15-32(4,39-30)31(38)35-17-9-5-8-16-34-28-24-10-6-7-11-26(24)36-27-18-22(33)12-13-25(27)28/h12-13,18,37H,5-11,14-17H2,1-4H3,(H,34,36)(H,35,38).
What are the key properties of N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide has a molecular weight of 550.14 g/mol, XLogP of 6.88, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide is sourced from PubChem (CID 122194885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).