N-[4-(2-amino-2-oxoethoxy)-2-phenylquinolin-6-yl]-3,4,5-trimethoxybenzamide

C27H25N3O6 — CID 53113500

IUPACN-[4-(2-amino-2-oxoethoxy)-2-phenylquinolin-6-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3nc(-c4ccccc4)cc(OCC(N)=O)c3c2)cc(OC)c1OC
InChIInChI=1S/C27H25N3O6/c1-33-23-11-17(12-24(34-2)26(23)35-3)27(32)29-18-9-10-20-19(13-18)22(36-15-25(28)31)14-21(30-20)16-7-5-4-6-8-16/h4-14H,15H2,1-3H3,(H2,28,31)(H,29,32)
InChIKeyLALDAZMJZYDXIQ-UHFFFAOYSA-N
MW487.51 g/mol
LogP4.04
Rot. Bonds9

About N-[4-(2-amino-2-oxoethoxy)-2-phenylquinolin-6-yl]-3,4,5-trimethoxybenzamide

N-[4-(2-amino-2-oxoethoxy)-2-phenylquinolin-6-yl]-3,4,5-trimethoxybenzamide (PubChem CID 53113500) has the molecular formula C27H25N3O6 and a molecular weight of 487.51 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethoxy)-2-phenylquinolin-6-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethoxy)-2-phenylquinolin-6-yl]-3,4,5-trimethoxybenzamide
PubChem CID53113500
Molecular FormulaC27H25N3O6
Molecular Weight487.51 g/mol
Exact Mass487.17
IUPAC NameN-[4-(2-amino-2-oxoethoxy)-2-phenylquinolin-6-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3nc(-c4ccccc4)cc(OCC(N)=O)c3c2)cc(OC)c1OC
InChIInChI=1S/C27H25N3O6/c1-33-23-11-17(12-24(34-2)26(23)35-3)27(32)29-18-9-10-20-19(13-18)22(36-15-25(28)31)14-21(30-20)16-7-5-4-6-8-16/h4-14H,15H2,1-3H3,(H2,28,31)(H,29,32)
InChIKeyLALDAZMJZYDXIQ-UHFFFAOYSA-N
XLogP4.04
TPSA122.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3,4,5-trimethoxybenzamide
CID 45499103
N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]benzamide
CID 53001311
N-[4-methoxy-2-(4-methoxyphenyl)quinolin-6-yl]benzamide
CID 53113445
N-[4-(2-amino-2-oxoethoxy)-2-(4-chlorophenyl)quinolin-6-yl]-4-methylbenzamide
CID 53113532
methyl 2-[6-[(2-chlorobenzoyl)amino]-2-phenylquinolin-4-yl]oxyacetate
CID 53113511
3-fluoro-N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]benzamide
CID 53113478
4-ethoxy-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-6-carboxamide
CID 46319060
methyl 2-[2-(4-fluorophenyl)-6-[(2-methoxybenzoyl)amino]quinolin-4-yl]oxyacetate
CID 53113586
ethyl 4-(2-amino-2-oxoethoxy)-2-phenylquinoline-6-carboxylate
CID 46298743
methyl 2-[6-[(3-chlorobenzoyl)amino]-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate
CID 53113571
N-(2,4-diaminoquinazolin-6-yl)-3,4,5-trimethoxybenzamide
CID 56690013
N-[4-(2-amino-2-oxoethoxy)-2-(4-methylphenyl)quinolin-6-yl]cyclopropanecarboxamide
CID 53113631

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethoxy)-2-phenylquinolin-6-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[4-(2-amino-2-oxoethoxy)-2-phenylquinolin-6-yl]-3,4,5-trimethoxybenzamide (CID 53113500) is N-[4-(2-amino-2-oxoethoxy)-2-phenylquinolin-6-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethoxy)-2-phenylquinolin-6-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethoxy)-2-phenylquinolin-6-yl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc3nc(-c4ccccc4)cc(OCC(N)=O)c3c2)cc(OC)c1OC.
What is the InChIKey of N-[4-(2-amino-2-oxoethoxy)-2-phenylquinolin-6-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is LALDAZMJZYDXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O6/c1-33-23-11-17(12-24(34-2)26(23)35-3)27(32)29-18-9-10-20-19(13-18)22(36-15-25(28)31)14-21(30-20)16-7-5-4-6-8-16/h4-14H,15H2,1-3H3,(H2,28,31)(H,29,32).
What are the key properties of N-[4-(2-amino-2-oxoethoxy)-2-phenylquinolin-6-yl]-3,4,5-trimethoxybenzamide?
N-[4-(2-amino-2-oxoethoxy)-2-phenylquinolin-6-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 487.51 g/mol, XLogP of 4.04, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethoxy)-2-phenylquinolin-6-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 53113500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).