N-[4-(2-amino-2-oxoethoxy)-2-(4-chlorophenyl)quinolin-6-yl]-4-methylbenzamide

C25H20ClN3O3 — CID 53113532

IUPACN-[4-(2-amino-2-oxoethoxy)-2-(4-chlorophenyl)quinolin-6-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3nc(-c4ccc(Cl)cc4)cc(OCC(N)=O)c3c2)cc1
InChIInChI=1S/C25H20ClN3O3/c1-15-2-4-17(5-3-15)25(31)28-19-10-11-21-20(12-19)23(32-14-24(27)30)13-22(29-21)16-6-8-18(26)9-7-16/h2-13H,14H2,1H3,(H2,27,30)(H,28,31)
InChIKeyOGDBSWLPEHYTLF-UHFFFAOYSA-N
MW445.91 g/mol
LogP4.98
Rot. Bonds6

About N-[4-(2-amino-2-oxoethoxy)-2-(4-chlorophenyl)quinolin-6-yl]-4-methylbenzamide

N-[4-(2-amino-2-oxoethoxy)-2-(4-chlorophenyl)quinolin-6-yl]-4-methylbenzamide (PubChem CID 53113532) has the molecular formula C25H20ClN3O3 and a molecular weight of 445.91 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethoxy)-2-(4-chlorophenyl)quinolin-6-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethoxy)-2-(4-chlorophenyl)quinolin-6-yl]-4-methylbenzamide
PubChem CID53113532
Molecular FormulaC25H20ClN3O3
Molecular Weight445.91 g/mol
Exact Mass445.12
IUPAC NameN-[4-(2-amino-2-oxoethoxy)-2-(4-chlorophenyl)quinolin-6-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3nc(-c4ccc(Cl)cc4)cc(OCC(N)=O)c3c2)cc1
InChIInChI=1S/C25H20ClN3O3/c1-15-2-4-17(5-3-15)25(31)28-19-10-11-21-20(12-19)23(32-14-24(27)30)13-22(29-21)16-6-8-18(26)9-7-16/h2-13H,14H2,1H3,(H2,27,30)(H,28,31)
InChIKeyOGDBSWLPEHYTLF-UHFFFAOYSA-N
XLogP4.98
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.91
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[6-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate
CID 53113515
N-[4-(2-amino-2-oxoethoxy)-2-(4-methylphenyl)quinolin-6-yl]cyclopropanecarboxamide
CID 53113631
N-[4-(2-amino-2-oxoethoxy)-2-phenylquinolin-6-yl]-3,4,5-trimethoxybenzamide
CID 53113500
N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]benzamide
CID 53001311
4-ethoxy-N-(4-methylphenyl)-2-phenylquinoline-6-carboxamide
CID 46318814
methyl 2-[2-(4-chlorophenyl)-6-[(2-methoxyacetyl)amino]quinolin-4-yl]oxyacetate
CID 53113644
methyl 2-[6-[(3-chlorobenzoyl)amino]-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate
CID 53113571
methyl 2-[6-[(4-chlorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385061
N-[2-(4-chlorophenyl)-4-methoxyquinolin-6-yl]-2-methoxyacetamide
CID 53001321
N-[4-methoxy-2-(4-methoxyphenyl)quinolin-6-yl]benzamide
CID 53113445
4-ethoxy-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-6-carboxamide
CID 46319060
methyl 2-[2-(4-chlorophenyl)-6-(cyclobutanecarbonylamino)quinolin-4-yl]oxyacetate
CID 53113645

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethoxy)-2-(4-chlorophenyl)quinolin-6-yl]-4-methylbenzamide?
The IUPAC name of N-[4-(2-amino-2-oxoethoxy)-2-(4-chlorophenyl)quinolin-6-yl]-4-methylbenzamide (CID 53113532) is N-[4-(2-amino-2-oxoethoxy)-2-(4-chlorophenyl)quinolin-6-yl]-4-methylbenzamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethoxy)-2-(4-chlorophenyl)quinolin-6-yl]-4-methylbenzamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethoxy)-2-(4-chlorophenyl)quinolin-6-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc3nc(-c4ccc(Cl)cc4)cc(OCC(N)=O)c3c2)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethoxy)-2-(4-chlorophenyl)quinolin-6-yl]-4-methylbenzamide?
The InChIKey is OGDBSWLPEHYTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O3/c1-15-2-4-17(5-3-15)25(31)28-19-10-11-21-20(12-19)23(32-14-24(27)30)13-22(29-21)16-6-8-18(26)9-7-16/h2-13H,14H2,1H3,(H2,27,30)(H,28,31).
What are the key properties of N-[4-(2-amino-2-oxoethoxy)-2-(4-chlorophenyl)quinolin-6-yl]-4-methylbenzamide?
N-[4-(2-amino-2-oxoethoxy)-2-(4-chlorophenyl)quinolin-6-yl]-4-methylbenzamide has a molecular weight of 445.91 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethoxy)-2-(4-chlorophenyl)quinolin-6-yl]-4-methylbenzamide is sourced from PubChem (CID 53113532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).