2-[(6-methoxy-3-phenylmethoxyquinoline-2-carbonyl)amino]acetic acid

C20H18N2O5 — CID 19692181

IUPAC2-[(6-methoxy-3-phenylmethoxyquinoline-2-carbonyl)amino]acetic acid
SMILESCOc1ccc2nc(C(=O)NCC(=O)O)c(OCc3ccccc3)cc2c1
InChIInChI=1S/C20H18N2O5/c1-26-15-7-8-16-14(9-15)10-17(27-12-13-5-3-2-4-6-13)19(22-16)20(25)21-11-18(23)24/h2-10H,11-12H2,1H3,(H,21,25)(H,23,24)
InChIKeyLJVSASZQPSGZAI-UHFFFAOYSA-N
MW366.37 g/mol
LogP2.64
Rot. Bonds7

About 2-[(6-methoxy-3-phenylmethoxyquinoline-2-carbonyl)amino]acetic acid

2-[(6-methoxy-3-phenylmethoxyquinoline-2-carbonyl)amino]acetic acid (PubChem CID 19692181) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is 2-[(6-methoxy-3-phenylmethoxyquinoline-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-methoxy-3-phenylmethoxyquinoline-2-carbonyl)amino]acetic acid
PubChem CID19692181
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name2-[(6-methoxy-3-phenylmethoxyquinoline-2-carbonyl)amino]acetic acid
SMILESCOc1ccc2nc(C(=O)NCC(=O)O)c(OCc3ccccc3)cc2c1
InChIInChI=1S/C20H18N2O5/c1-26-15-7-8-16-14(9-15)10-17(27-12-13-5-3-2-4-6-13)19(22-16)20(25)21-11-18(23)24/h2-10H,11-12H2,1H3,(H,21,25)(H,23,24)
InChIKeyLJVSASZQPSGZAI-UHFFFAOYSA-N
XLogP2.64
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methoxy-3-phenylmethoxyquinolin-2-yl)ethanone
CID 19692233
benzyl 2-[[6-(3-methoxyphenoxy)-3-phenylmethoxyquinoline-2-carbonyl]amino]acetate
CID 19692176
1-(3-phenylmethoxy-6-propan-2-yloxyquinolin-2-yl)ethanone
CID 22446096
6-phenoxy-3-phenylmethoxyquinoline-2-carboxylic acid
CID 19692180
benzyl 2-[[6-(benzenesulfonyl)-3-phenylmethoxyquinoline-2-carbonyl]amino]acetate
CID 19692238
2-[[3,4-bis[(4-methoxyphenyl)methoxy]benzoyl]amino]acetic acid
CID 175227608
2-[(6-methoxyisoquinoline-1-carbonyl)amino]acetic acid
CID 82571597
tert-butyl N-[(4-methoxy-2-phenylmethoxyphenyl)methyl]carbamate
CID 68795475
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid
CID 71348441
2-[[2-[2-(dimethylamino)ethoxy]-4-methoxybenzoyl]amino]acetic acid
CID 39293694
(Z)-3-(4-methoxy-2-phenylmethoxyphenyl)-2-phenylprop-2-enoic acid
CID 22679856

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-phenylmethoxyquinoline-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(6-methoxy-3-phenylmethoxyquinoline-2-carbonyl)amino]acetic acid (CID 19692181) is 2-[(6-methoxy-3-phenylmethoxyquinoline-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-methoxy-3-phenylmethoxyquinoline-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(6-methoxy-3-phenylmethoxyquinoline-2-carbonyl)amino]acetic acid is COc1ccc2nc(C(=O)NCC(=O)O)c(OCc3ccccc3)cc2c1.
What is the InChIKey of 2-[(6-methoxy-3-phenylmethoxyquinoline-2-carbonyl)amino]acetic acid?
The InChIKey is LJVSASZQPSGZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-26-15-7-8-16-14(9-15)10-17(27-12-13-5-3-2-4-6-13)19(22-16)20(25)21-11-18(23)24/h2-10H,11-12H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 2-[(6-methoxy-3-phenylmethoxyquinoline-2-carbonyl)amino]acetic acid?
2-[(6-methoxy-3-phenylmethoxyquinoline-2-carbonyl)amino]acetic acid has a molecular weight of 366.37 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-3-phenylmethoxyquinoline-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 19692181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).