4-oxo-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]chromene-2-carboxamide;hydrochloride

C32H38ClN3O3 — CID 56954993

IUPAC4-oxo-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]chromene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCCCCCCCNc1c2c(nc3ccccc13)CCCC2)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C32H37N3O3.ClH/c36-28-22-30(38-29-19-11-8-16-25(28)29)32(37)34-21-13-5-3-1-2-4-12-20-33-31-23-14-6-9-17-26(23)35-27-18-10-7-15-24(27)31;/h6,8-9,11,14,16-17,19,22H,1-5,7,10,12-13,15,18,20-21H2,(H,33,35)(H,34,37);1H
InChIKeyLDYMNAYMHBPAID-UHFFFAOYSA-N
MW548.13 g/mol
LogP7.21
Rot. Bonds12

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

4-oxo-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]chromene-2-carboxamide;hydrochloride (PubChem CID 56954993) has the molecular formula C32H38ClN3O3 and a molecular weight of 548.13 g/mol. Its IUPAC name is 4-oxo-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]chromene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-oxo-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]chromene-2-carboxamide;hydrochloride
PubChem CID56954993
Molecular FormulaC32H38ClN3O3
Molecular Weight548.13 g/mol
Exact Mass547.26
IUPAC Name4-oxo-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]chromene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCCCCCCCNc1c2c(nc3ccccc13)CCCC2)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C32H37N3O3.ClH/c36-28-22-30(38-29-19-11-8-16-25(28)29)32(37)34-21-13-5-3-1-2-4-12-20-33-31-23-14-6-9-17-26(23)35-27-18-10-7-15-24(27)31;/h6,8-9,11,14,16-17,19,22H,1-5,7,10,12-13,15,18,20-21H2,(H,33,35)(H,34,37);1H
InChIKeyLDYMNAYMHBPAID-UHFFFAOYSA-N
XLogP7.21
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.13
LogP ≤ 57.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-oxo-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]chromene-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]chromene-2-carboxamide;hydrochloride?
The IUPAC name of 4-oxo-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]chromene-2-carboxamide;hydrochloride (CID 56954993) is 4-oxo-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]chromene-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-oxo-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]chromene-2-carboxamide;hydrochloride?
The canonical SMILES for 4-oxo-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]chromene-2-carboxamide;hydrochloride is Cl.O=C(NCCCCCCCCCNc1c2c(nc3ccccc13)CCCC2)c1cc(=O)c2ccccc2o1.
What is the InChIKey of 4-oxo-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]chromene-2-carboxamide;hydrochloride?
The InChIKey is LDYMNAYMHBPAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O3.ClH/c36-28-22-30(38-29-19-11-8-16-25(28)29)32(37)34-21-13-5-3-1-2-4-12-20-33-31-23-14-6-9-17-26(23)35-27-18-10-7-15-24(27)31;/h6,8-9,11,14,16-17,19,22H,1-5,7,10,12-13,15,18,20-21H2,(H,33,35)(H,34,37);1H.
What are the key properties of 4-oxo-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]chromene-2-carboxamide;hydrochloride?
4-oxo-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]chromene-2-carboxamide;hydrochloride has a molecular weight of 548.13 g/mol, XLogP of 7.21, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]chromene-2-carboxamide;hydrochloride is sourced from PubChem (CID 56954993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).