N-[(R)-furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]butanamide

C18H18N2O3 — CID 767453

IUPACN-[(R)-furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]butanamide
SMILESCCCC(=O)N[C@@H](c1ccco1)c1ccc2cccnc2c1O
InChIInChI=1S/C18H18N2O3/c1-2-5-15(21)20-17(14-7-4-11-23-14)13-9-8-12-6-3-10-19-16(12)18(13)22/h3-4,6-11,17,22H,2,5H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyDLVGGIJXBVWJND-QGZVFWFLSA-N
MW310.35 g/mol
LogP3.54
Rot. Bonds5

About N-[(R)-furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]butanamide

N-[(R)-furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]butanamide (PubChem CID 767453) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[(R)-furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]butanamide.

Molecular Properties

Compound NameN-[(R)-furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]butanamide
PubChem CID767453
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[(R)-furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]butanamide
SMILESCCCC(=O)N[C@@H](c1ccco1)c1ccc2cccnc2c1O
InChIInChI=1S/C18H18N2O3/c1-2-5-15(21)20-17(14-7-4-11-23-14)13-9-8-12-6-3-10-19-16(12)18(13)22/h3-4,6-11,17,22H,2,5H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyDLVGGIJXBVWJND-QGZVFWFLSA-N
XLogP3.54
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(R)-furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]butanamide 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-[(R)-(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide
CID 6550405
N-[(R)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]butanamide
CID 1118804
7-[(S)-furan-2-yl-(pyrimidin-2-ylamino)methyl]quinolin-8-ol
CID 703337
N-[(R)-(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]butanamide
CID 7064514
7-[furan-2-yl-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 19233328
propan-2-yl 4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate
CID 19233038
N-[(S)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]propanamide
CID 7064517
4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzenesulfonamide
CID 19233159
2-ethoxyethyl 3-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate
CID 19233094
N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-phenylpropanamide
CID 1084506
N-[(R)-(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-phenylpropanamide
CID 1084516
7-[(2,4-dichloroanilino)-(furan-2-yl)methyl]quinolin-8-ol
CID 4073581

Frequently Asked Questions

What is the IUPAC name of N-[(R)-furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]butanamide?
The IUPAC name of N-[(R)-furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]butanamide (CID 767453) is N-[(R)-furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]butanamide.
What is the SMILES notation for N-[(R)-furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]butanamide?
The canonical SMILES for N-[(R)-furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]butanamide is CCCC(=O)N[C@@H](c1ccco1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(R)-furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]butanamide?
The InChIKey is DLVGGIJXBVWJND-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-2-5-15(21)20-17(14-7-4-11-23-14)13-9-8-12-6-3-10-19-16(12)18(13)22/h3-4,6-11,17,22H,2,5H2,1H3,(H,20,21)/t17-/m1/s1.
What are the key properties of N-[(R)-furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]butanamide?
N-[(R)-furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]butanamide has a molecular weight of 310.35 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]butanamide is sourced from PubChem (CID 767453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).