N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]butanamide

C21H21ClN2O3 — CID 164865561

IUPACN-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]butanamide
SMILESCCCC(=O)NC(c1cccc(OC)c1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C21H21ClN2O3/c1-3-6-18(25)24-19(13-7-4-8-14(11-13)27-2)16-12-17(22)15-9-5-10-23-20(15)21(16)26/h4-5,7-12,19,26H,3,6H2,1-2H3,(H,24,25)
InChIKeyKBMMGNUARCOPSX-UHFFFAOYSA-N
MW384.86 g/mol
LogP4.61
Rot. Bonds6

About N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]butanamide

N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]butanamide (PubChem CID 164865561) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]butanamide
PubChem CID164865561
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]butanamide
SMILESCCCC(=O)NC(c1cccc(OC)c1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C21H21ClN2O3/c1-3-6-18(25)24-19(13-7-4-8-14(11-13)27-2)16-12-17(22)15-9-5-10-23-20(15)21(16)26/h4-5,7-12,19,26H,3,6H2,1-2H3,(H,24,25)
InChIKeyKBMMGNUARCOPSX-UHFFFAOYSA-N
XLogP4.61
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methoxybenzamide
CID 7030471
N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-2-ylmethyl]butanamide
CID 164865703
N-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide
CID 40500663
N-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-methoxybenzamide
CID 2259138
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-fluorophenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 24961465
2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]acetamide
CID 164865635
N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide
CID 164865676
N-[(R)-(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide
CID 2259163
N-[3-[(5-chloro-8-hydroxyquinolin-7-yl)-[(2-phenoxyacetyl)amino]methyl]phenyl]-2-(methylamino)acetamide
CID 67170573
N-[(5-acetyl-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]butanamide
CID 164865631
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]-2-phenoxyacetamide;N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 161339041
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]acetamide
CID 3136129

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]butanamide?
The IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]butanamide (CID 164865561) is N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]butanamide?
The canonical SMILES for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]butanamide is CCCC(=O)NC(c1cccc(OC)c1)c1cc(Cl)c2cccnc2c1O.
What is the InChIKey of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]butanamide?
The InChIKey is KBMMGNUARCOPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-3-6-18(25)24-19(13-7-4-8-14(11-13)27-2)16-12-17(22)15-9-5-10-23-20(15)21(16)26/h4-5,7-12,19,26H,3,6H2,1-2H3,(H,24,25).
What are the key properties of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]butanamide?
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]butanamide has a molecular weight of 384.86 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 164865561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).