N-(4-chlorophenyl)-N-[1-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide

C31H32ClN3O5 — CID 68920823

IUPACN-(4-chlorophenyl)-N-[1-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
SMILESCCN1CC(COc2ccc(C(=O)N3c4ccccc4C(N(C(C)=O)c4ccc(Cl)cc4)CC3C)cc2)OC1=O
InChIInChI=1S/C31H32ClN3O5/c1-4-33-18-26(40-31(33)38)19-39-25-15-9-22(10-16-25)30(37)34-20(2)17-29(27-7-5-6-8-28(27)34)35(21(3)36)24-13-11-23(32)12-14-24/h5-16,20,26,29H,4,17-19H2,1-3H3
InChIKeyAREVYQLJBZJWBZ-UHFFFAOYSA-N
MW562.07 g/mol
LogP6.09
Rot. Bonds7

About N-(4-chlorophenyl)-N-[1-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide

N-(4-chlorophenyl)-N-[1-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide (PubChem CID 68920823) has the molecular formula C31H32ClN3O5 and a molecular weight of 562.07 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[1-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[1-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
PubChem CID68920823
Molecular FormulaC31H32ClN3O5
Molecular Weight562.07 g/mol
Exact Mass561.20
IUPAC NameN-(4-chlorophenyl)-N-[1-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
SMILESCCN1CC(COc2ccc(C(=O)N3c4ccccc4C(N(C(C)=O)c4ccc(Cl)cc4)CC3C)cc2)OC1=O
InChIInChI=1S/C31H32ClN3O5/c1-4-33-18-26(40-31(33)38)19-39-25-15-9-22(10-16-25)30(37)34-20(2)17-29(27-7-5-6-8-28(27)34)35(21(3)36)24-13-11-23(32)12-14-24/h5-16,20,26,29H,4,17-19H2,1-3H3
InChIKeyAREVYQLJBZJWBZ-UHFFFAOYSA-N
XLogP6.09
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.07
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(3-aminopropoxy)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-chlorophenyl)acetamide
CID 68921537
N-(4-chlorophenyl)-N-[2-methyl-1-[4-[3-(2-oxo-1,3-oxazolidin-3-yl)propoxy]benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide
CID 68923999
N-(4-chlorophenyl)-N-[2-methyl-1-[4-(3-pyrrol-1-ylpropoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide
CID 68921766
N-(4-chlorophenyl)-N-[1-(4-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
CID 76613782
4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]-2,2-dimethylbutanamide
CID 58859825
4-[4-[4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]-2,2-dimethylbutanamide
CID 68926318
3-[[4-[4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]methyl]benzoic acid
CID 68921381
4-[4-[4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]cyclohexane-1-carboxylic acid
CID 68921611
2-[4-[acetyl-[2-methyl-1-(4-propoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]acetic acid
CID 143124405
N-(4-chlorophenyl)-N-[1-[4-(3-imidazol-1-yl-3-methylbutoxy)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
CID 68924149
methyl 2-[4-[acetyl-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenoxy]acetate
CID 68921236
ethyl 4-[4-[(2S)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]piperidine-1-carboxylate
CID 68922002

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[1-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-N-[1-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide (CID 68920823) is N-(4-chlorophenyl)-N-[1-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[1-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[1-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide is CCN1CC(COc2ccc(C(=O)N3c4ccccc4C(N(C(C)=O)c4ccc(Cl)cc4)CC3C)cc2)OC1=O.
What is the InChIKey of N-(4-chlorophenyl)-N-[1-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide?
The InChIKey is AREVYQLJBZJWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32ClN3O5/c1-4-33-18-26(40-31(33)38)19-39-25-15-9-22(10-16-25)30(37)34-20(2)17-29(27-7-5-6-8-28(27)34)35(21(3)36)24-13-11-23(32)12-14-24/h5-16,20,26,29H,4,17-19H2,1-3H3.
What are the key properties of N-(4-chlorophenyl)-N-[1-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide?
N-(4-chlorophenyl)-N-[1-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide has a molecular weight of 562.07 g/mol, XLogP of 6.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[1-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide is sourced from PubChem (CID 68920823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).