propan-2-yl 4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate

C24H22N2O4 — CID 19233038

IUPACpropan-2-yl 4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(c2ccco2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C24H22N2O4/c1-15(2)30-24(28)17-7-10-18(11-8-17)26-22(20-6-4-14-29-20)19-12-9-16-5-3-13-25-21(16)23(19)27/h3-15,22,26-27H,1-2H3
InChIKeySELOAFINVNGLFV-UHFFFAOYSA-N
MW402.45 g/mol
LogP5.30
Rot. Bonds6

About propan-2-yl 4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate

propan-2-yl 4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate (PubChem CID 19233038) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is propan-2-yl 4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate
PubChem CID19233038
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Namepropan-2-yl 4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(c2ccco2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C24H22N2O4/c1-15(2)30-24(28)17-7-10-18(11-8-17)26-22(20-6-4-14-29-20)19-12-9-16-5-3-13-25-21(16)23(19)27/h3-15,22,26-27H,1-2H3
InChIKeySELOAFINVNGLFV-UHFFFAOYSA-N
XLogP5.30
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.45
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzenesulfonamide
CID 19233159
7-[(S)-furan-2-yl-(pyrimidin-2-ylamino)methyl]quinolin-8-ol
CID 703337
7-[(3-chloro-4-methoxyanilino)-(furan-2-yl)methyl]quinolin-8-ol
CID 19233262
2-ethoxyethyl 3-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate
CID 19233094
7-[furan-2-yl-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 19233328
propan-2-yl 4-[[(8-hydroxy-2-methylquinolin-7-yl)-phenylmethyl]amino]benzoate
CID 19233040
N-[(R)-furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]butanamide
CID 767453
propan-2-yl 4-[[(8-hydroxy-2-methylquinolin-7-yl)-pyridin-4-ylmethyl]amino]benzoate
CID 19233043
ethyl 4-[anilino-(8-hydroxyquinolin-7-yl)methyl]benzoate
CID 23851621
2-ethoxyethyl 4-[[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]amino]benzoate
CID 19233065
7-[furan-2-yl-(4-methoxyanilino)methyl]-2-methylquinolin-8-ol
CID 19232894
7-[(2,4-dichloroanilino)-(furan-2-yl)methyl]quinolin-8-ol
CID 4073581

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate?
The IUPAC name of propan-2-yl 4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate (CID 19233038) is propan-2-yl 4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate?
The canonical SMILES for propan-2-yl 4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate is CC(C)OC(=O)c1ccc(NC(c2ccco2)c2ccc3cccnc3c2O)cc1.
What is the InChIKey of propan-2-yl 4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate?
The InChIKey is SELOAFINVNGLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-15(2)30-24(28)17-7-10-18(11-8-17)26-22(20-6-4-14-29-20)19-12-9-16-5-3-13-25-21(16)23(19)27/h3-15,22,26-27H,1-2H3.
What are the key properties of propan-2-yl 4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate?
propan-2-yl 4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate has a molecular weight of 402.45 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate is sourced from PubChem (CID 19233038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).