2-[(6,7-dimethoxy-2-oxo-3-phenylmethoxy-3,4-dihydro-1H-quinolin-4-yl)amino]acetic acid

C20H22N2O6 — CID 15485002

IUPAC2-[(6,7-dimethoxy-2-oxo-3-phenylmethoxy-3,4-dihydro-1H-quinolin-4-yl)amino]acetic acid
SMILESCOc1cc2c(cc1OC)C(NCC(=O)O)C(OCc1ccccc1)C(=O)N2
InChIInChI=1S/C20H22N2O6/c1-26-15-8-13-14(9-16(15)27-2)22-20(25)19(18(13)21-10-17(23)24)28-11-12-6-4-3-5-7-12/h3-9,18-19,21H,10-11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyQXCDASJQCBHHMY-UHFFFAOYSA-N
MW386.40 g/mol
LogP1.96
Rot. Bonds8

About 2-[(6,7-dimethoxy-2-oxo-3-phenylmethoxy-3,4-dihydro-1H-quinolin-4-yl)amino]acetic acid

2-[(6,7-dimethoxy-2-oxo-3-phenylmethoxy-3,4-dihydro-1H-quinolin-4-yl)amino]acetic acid (PubChem CID 15485002) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is 2-[(6,7-dimethoxy-2-oxo-3-phenylmethoxy-3,4-dihydro-1H-quinolin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6,7-dimethoxy-2-oxo-3-phenylmethoxy-3,4-dihydro-1H-quinolin-4-yl)amino]acetic acid
PubChem CID15485002
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Name2-[(6,7-dimethoxy-2-oxo-3-phenylmethoxy-3,4-dihydro-1H-quinolin-4-yl)amino]acetic acid
SMILESCOc1cc2c(cc1OC)C(NCC(=O)O)C(OCc1ccccc1)C(=O)N2
InChIInChI=1S/C20H22N2O6/c1-26-15-8-13-14(9-16(15)27-2)22-20(25)19(18(13)21-10-17(23)24)28-11-12-6-4-3-5-7-12/h3-9,18-19,21H,10-11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyQXCDASJQCBHHMY-UHFFFAOYSA-N
XLogP1.96
TPSA106.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6,7-dimethoxy-2-oxo-3-phenylmethoxy-3,4-dihydro-1H-quinolin-4-yl)amino]acetic acid?
The IUPAC name of 2-[(6,7-dimethoxy-2-oxo-3-phenylmethoxy-3,4-dihydro-1H-quinolin-4-yl)amino]acetic acid (CID 15485002) is 2-[(6,7-dimethoxy-2-oxo-3-phenylmethoxy-3,4-dihydro-1H-quinolin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(6,7-dimethoxy-2-oxo-3-phenylmethoxy-3,4-dihydro-1H-quinolin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(6,7-dimethoxy-2-oxo-3-phenylmethoxy-3,4-dihydro-1H-quinolin-4-yl)amino]acetic acid is COc1cc2c(cc1OC)C(NCC(=O)O)C(OCc1ccccc1)C(=O)N2.
What is the InChIKey of 2-[(6,7-dimethoxy-2-oxo-3-phenylmethoxy-3,4-dihydro-1H-quinolin-4-yl)amino]acetic acid?
The InChIKey is QXCDASJQCBHHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-26-15-8-13-14(9-16(15)27-2)22-20(25)19(18(13)21-10-17(23)24)28-11-12-6-4-3-5-7-12/h3-9,18-19,21H,10-11H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 2-[(6,7-dimethoxy-2-oxo-3-phenylmethoxy-3,4-dihydro-1H-quinolin-4-yl)amino]acetic acid?
2-[(6,7-dimethoxy-2-oxo-3-phenylmethoxy-3,4-dihydro-1H-quinolin-4-yl)amino]acetic acid has a molecular weight of 386.40 g/mol, XLogP of 1.96, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,7-dimethoxy-2-oxo-3-phenylmethoxy-3,4-dihydro-1H-quinolin-4-yl)amino]acetic acid is sourced from PubChem (CID 15485002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).