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

C33H40ClN3O4 — CID 56955298

IUPAC6-hydroxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCCCCCCCCNc1c2c(nc3ccccc13)CCCC2)c1cc(=O)c2cc(O)ccc2o1
InChIInChI=1S/C33H39N3O4.ClH/c37-23-17-18-30-26(21-23)29(38)22-31(40-30)33(39)35-20-12-6-4-2-1-3-5-11-19-34-32-24-13-7-9-15-27(24)36-28-16-10-8-14-25(28)32;/h7,9,13,15,17-18,21-22,37H,1-6,8,10-12,14,16,19-20H2,(H,34,36)(H,35,39);1H
InChIKeyOOGGPPFGBNNDCN-UHFFFAOYSA-N
MW578.15 g/mol
LogP7.31
Rot. Bonds13

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

6-hydroxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride (PubChem CID 56955298) has the molecular formula C33H40ClN3O4 and a molecular weight of 578.15 g/mol. Its IUPAC name is 6-hydroxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-hydroxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride
PubChem CID56955298
Molecular FormulaC33H40ClN3O4
Molecular Weight578.15 g/mol
Exact Mass577.27
IUPAC Name6-hydroxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCCCCCCCCNc1c2c(nc3ccccc13)CCCC2)c1cc(=O)c2cc(O)ccc2o1
InChIInChI=1S/C33H39N3O4.ClH/c37-23-17-18-30-26(21-23)29(38)22-31(40-30)33(39)35-20-12-6-4-2-1-3-5-11-19-34-32-24-13-7-9-15-27(24)36-28-16-10-8-14-25(28)32;/h7,9,13,15,17-18,21-22,37H,1-6,8,10-12,14,16,19-20H2,(H,34,36)(H,35,39);1H
InChIKeyOOGGPPFGBNNDCN-UHFFFAOYSA-N
XLogP7.31
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.15
LogP ≤ 57.31
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 6-hydroxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride?
The IUPAC name of 6-hydroxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride (CID 56955298) is 6-hydroxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride.
What is the SMILES notation for 6-hydroxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride?
The canonical SMILES for 6-hydroxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride is Cl.O=C(NCCCCCCCCCCNc1c2c(nc3ccccc13)CCCC2)c1cc(=O)c2cc(O)ccc2o1.
What is the InChIKey of 6-hydroxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride?
The InChIKey is OOGGPPFGBNNDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N3O4.ClH/c37-23-17-18-30-26(21-23)29(38)22-31(40-30)33(39)35-20-12-6-4-2-1-3-5-11-19-34-32-24-13-7-9-15-27(24)36-28-16-10-8-14-25(28)32;/h7,9,13,15,17-18,21-22,37H,1-6,8,10-12,14,16,19-20H2,(H,34,36)(H,35,39);1H.
What are the key properties of 6-hydroxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride?
6-hydroxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride has a molecular weight of 578.15 g/mol, XLogP of 7.31, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride is sourced from PubChem (CID 56955298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).