N-[3-(4-hydroxyphenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]quinoline-6-carboxamide

C26H25N3O5 — CID 90782289

IUPACN-[3-(4-hydroxyphenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]quinoline-6-carboxamide
SMILESO=C(NC(Cc1ccc(O)cc1)C(=O)NC12CCCC1OCC2=O)c1ccc2ncccc2c1
InChIInChI=1S/C26H25N3O5/c30-19-8-5-16(6-9-19)13-21(25(33)29-26-11-1-4-23(26)34-15-22(26)31)28-24(32)18-7-10-20-17(14-18)3-2-12-27-20/h2-3,5-10,12,14,21,23,30H,1,4,11,13,15H2,(H,28,32)(H,29,33)
InChIKeyHUMXQBIKDJPCNT-UHFFFAOYSA-N
MW459.50 g/mol
LogP2.29
Rot. Bonds6

About N-[3-(4-hydroxyphenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]quinoline-6-carboxamide

N-[3-(4-hydroxyphenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]quinoline-6-carboxamide (PubChem CID 90782289) has the molecular formula C26H25N3O5 and a molecular weight of 459.50 g/mol. Its IUPAC name is N-[3-(4-hydroxyphenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[3-(4-hydroxyphenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]quinoline-6-carboxamide
PubChem CID90782289
Molecular FormulaC26H25N3O5
Molecular Weight459.50 g/mol
Exact Mass459.18
IUPAC NameN-[3-(4-hydroxyphenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]quinoline-6-carboxamide
SMILESO=C(NC(Cc1ccc(O)cc1)C(=O)NC12CCCC1OCC2=O)c1ccc2ncccc2c1
InChIInChI=1S/C26H25N3O5/c30-19-8-5-16(6-9-19)13-21(25(33)29-26-11-1-4-23(26)34-15-22(26)31)28-24(32)18-7-10-20-17(14-18)3-2-12-27-20/h2-3,5-10,12,14,21,23,30H,1,4,11,13,15H2,(H,28,32)(H,29,33)
InChIKeyHUMXQBIKDJPCNT-UHFFFAOYSA-N
XLogP2.29
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-(4-hydroxyphenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]quinoline-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-(3-hydroxyphenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-1,3-benzothiazole-5-carboxamide
CID 91596185
N-[3-(4-chlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-1,3-benzothiazole-5-carboxamide
CID 91121264
N-[3-(3-hydroxyphenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]naphthalene-1-carboxamide
CID 90713036
N-[3-(3,4-dichlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-4-imidazol-1-ylbenzamide
CID 22288864
N-[3-(3,4-dichlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-1-benzothiophene-2-carboxamide
CID 91214431
N-[3-(4-chlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 91009458
N-[3-(3,4-dichlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 91031307
N-[3-(3,4-dichlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-1-benzothiophene-3-carboxamide
CID 91027622
N-[4-methyl-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]pentan-2-yl]furan-3-carboxamide
CID 90912947
4-tert-butyl-N-[(2S)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide
CID 10182535
2-(quinoline-6-carbonylamino)butanoic acid
CID 62848486
N-[3-(3,4-dichlorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]quinoline-6-carboxamide
CID 91444771

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxyphenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]quinoline-6-carboxamide?
The IUPAC name of N-[3-(4-hydroxyphenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]quinoline-6-carboxamide (CID 90782289) is N-[3-(4-hydroxyphenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]quinoline-6-carboxamide.
What is the SMILES notation for N-[3-(4-hydroxyphenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]quinoline-6-carboxamide?
The canonical SMILES for N-[3-(4-hydroxyphenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]quinoline-6-carboxamide is O=C(NC(Cc1ccc(O)cc1)C(=O)NC12CCCC1OCC2=O)c1ccc2ncccc2c1.
What is the InChIKey of N-[3-(4-hydroxyphenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]quinoline-6-carboxamide?
The InChIKey is HUMXQBIKDJPCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5/c30-19-8-5-16(6-9-19)13-21(25(33)29-26-11-1-4-23(26)34-15-22(26)31)28-24(32)18-7-10-20-17(14-18)3-2-12-27-20/h2-3,5-10,12,14,21,23,30H,1,4,11,13,15H2,(H,28,32)(H,29,33).
What are the key properties of N-[3-(4-hydroxyphenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]quinoline-6-carboxamide?
N-[3-(4-hydroxyphenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]quinoline-6-carboxamide has a molecular weight of 459.50 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxyphenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]quinoline-6-carboxamide is sourced from PubChem (CID 90782289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).