6-methoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride

C34H42ClN3O4 — CID 56955103

IUPAC6-methoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride
SMILESCOc1ccc2oc(C(=O)NCCCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)cc(=O)c2c1.Cl
InChIInChI=1S/C34H41N3O4.ClH/c1-40-24-18-19-31-27(22-24)30(38)23-32(41-31)34(39)36-21-13-7-5-3-2-4-6-12-20-35-33-25-14-8-10-16-28(25)37-29-17-11-9-15-26(29)33;/h8,10,14,16,18-19,22-23H,2-7,9,11-13,15,17,20-21H2,1H3,(H,35,37)(H,36,39);1H
InChIKeyRBMLUMWBPKNVCQ-UHFFFAOYSA-N
MW592.18 g/mol
LogP7.61
Rot. Bonds14

About 6-methoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride

6-methoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride (PubChem CID 56955103) has the molecular formula C34H42ClN3O4 and a molecular weight of 592.18 g/mol. Its IUPAC name is 6-methoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-methoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride
PubChem CID56955103
Molecular FormulaC34H42ClN3O4
Molecular Weight592.18 g/mol
Exact Mass591.29
IUPAC Name6-methoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride
SMILESCOc1ccc2oc(C(=O)NCCCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)cc(=O)c2c1.Cl
InChIInChI=1S/C34H41N3O4.ClH/c1-40-24-18-19-31-27(22-24)30(38)23-32(41-31)34(39)36-21-13-7-5-3-2-4-6-12-20-35-33-25-14-8-10-16-28(25)37-29-17-11-9-15-26(29)33;/h8,10,14,16,18-19,22-23H,2-7,9,11-13,15,17,20-21H2,1H3,(H,35,37)(H,36,39);1H
InChIKeyRBMLUMWBPKNVCQ-UHFFFAOYSA-N
XLogP7.61
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.18
LogP ≤ 57.61
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 6-methoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride?
The IUPAC name of 6-methoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride (CID 56955103) is 6-methoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride.
What is the SMILES notation for 6-methoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride?
The canonical SMILES for 6-methoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride is COc1ccc2oc(C(=O)NCCCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)cc(=O)c2c1.Cl.
What is the InChIKey of 6-methoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride?
The InChIKey is RBMLUMWBPKNVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N3O4.ClH/c1-40-24-18-19-31-27(22-24)30(38)23-32(41-31)34(39)36-21-13-7-5-3-2-4-6-12-20-35-33-25-14-8-10-16-28(25)37-29-17-11-9-15-26(29)33;/h8,10,14,16,18-19,22-23H,2-7,9,11-13,15,17,20-21H2,1H3,(H,35,37)(H,36,39);1H.
What are the key properties of 6-methoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride?
6-methoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride has a molecular weight of 592.18 g/mol, XLogP of 7.61, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride is sourced from PubChem (CID 56955103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).