N-[(R)-(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide

C20H18Cl2N2O2 — CID 1129397

IUPACN-[(R)-(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H](c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O
InChIInChI=1S/C20H18Cl2N2O2/c1-11(2)20(26)24-18(14-8-6-13(21)10-16(14)22)15-7-5-12-4-3-9-23-17(12)19(15)25/h3-11,18,25H,1-2H3,(H,24,26)/t18-/m0/s1
InChIKeyGUGJXJDURCSDQV-SFHVURJKSA-N
MW389.28 g/mol
LogP5.11
Rot. Bonds4

About N-[(R)-(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide

N-[(R)-(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide (PubChem CID 1129397) has the molecular formula C20H18Cl2N2O2 and a molecular weight of 389.28 g/mol. Its IUPAC name is N-[(R)-(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(R)-(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide
PubChem CID1129397
Molecular FormulaC20H18Cl2N2O2
Molecular Weight389.28 g/mol
Exact Mass388.07
IUPAC NameN-[(R)-(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H](c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O
InChIInChI=1S/C20H18Cl2N2O2/c1-11(2)20(26)24-18(14-8-6-13(21)10-16(14)22)15-7-5-12-4-3-9-23-17(12)19(15)25/h3-11,18,25H,1-2H3,(H,24,26)/t18-/m0/s1
InChIKeyGUGJXJDURCSDQV-SFHVURJKSA-N
XLogP5.11
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.28
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[(2,4-dichlorophenyl)-(methylamino)methyl]quinolin-8-ol
CID 146475110
7-[(2,4-dichlorophenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol
CID 58543190
N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 711204
7-[(4-chlorophenyl)-(methylamino)methyl]quinolin-8-ol
CID 146474872
N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide
CID 2876998
4-chloro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
CID 146475092
7-[(2,4-dichloroanilino)-(furan-2-yl)methyl]quinolin-8-ol
CID 4073581
N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methylbenzamide
CID 146474984
7-[1-(2,4-dichlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol
CID 58543019
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-methylpropanamide
CID 3138762
N-[(R)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]cyclohexanecarboxamide
CID 1129407
N-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]cyclohexanecarboxamide
CID 2920645

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(R)-(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide (CID 1129397) is N-[(R)-(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(R)-(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(R)-(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide is CC(C)C(=O)N[C@@H](c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(R)-(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide?
The InChIKey is GUGJXJDURCSDQV-SFHVURJKSA-N. The full InChI is InChI=1S/C20H18Cl2N2O2/c1-11(2)20(26)24-18(14-8-6-13(21)10-16(14)22)15-7-5-12-4-3-9-23-17(12)19(15)25/h3-11,18,25H,1-2H3,(H,24,26)/t18-/m0/s1.
What are the key properties of N-[(R)-(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide?
N-[(R)-(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide has a molecular weight of 389.28 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 1129397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).