2-[[2-(2-oxo-1H-benzo[b][1,8]naphthyridin-3-yl)acetyl]-propylamino]acetic acid

C19H19N3O4 — CID 20596347

IUPAC2-[[2-(2-oxo-1H-benzo[b][1,8]naphthyridin-3-yl)acetyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)Cc1cc2cc3ccccc3nc2[nH]c1=O
InChIInChI=1S/C19H19N3O4/c1-2-7-22(11-17(24)25)16(23)10-14-9-13-8-12-5-3-4-6-15(12)20-18(13)21-19(14)26/h3-6,8-9H,2,7,10-11H2,1H3,(H,24,25)(H,20,21,26)
InChIKeyVNFOWQFQRFVCMD-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.94
Rot. Bonds6

About 2-[[2-(2-oxo-1H-benzo[b][1,8]naphthyridin-3-yl)acetyl]-propylamino]acetic acid

2-[[2-(2-oxo-1H-benzo[b][1,8]naphthyridin-3-yl)acetyl]-propylamino]acetic acid (PubChem CID 20596347) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-[[2-(2-oxo-1H-benzo[b][1,8]naphthyridin-3-yl)acetyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-oxo-1H-benzo[b][1,8]naphthyridin-3-yl)acetyl]-propylamino]acetic acid
PubChem CID20596347
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2-[[2-(2-oxo-1H-benzo[b][1,8]naphthyridin-3-yl)acetyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)Cc1cc2cc3ccccc3nc2[nH]c1=O
InChIInChI=1S/C19H19N3O4/c1-2-7-22(11-17(24)25)16(23)10-14-9-13-8-12-5-3-4-6-15(12)20-18(13)21-19(14)26/h3-6,8-9H,2,7,10-11H2,1H3,(H,24,25)(H,20,21,26)
InChIKeyVNFOWQFQRFVCMD-UHFFFAOYSA-N
XLogP1.94
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-1H-benzo[b][1,8]naphthyridin-2-one
CID 59093558
2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetic acid
CID 61011390
2-[[2-(7-methyl-2-oxo-1H-1,8-naphthyridin-3-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid
CID 22987124
2-[[3-(hydroxymethyl)quinolin-2-yl]-propylamino]acetic acid
CID 122051472
2-[[2-(2-nitrophenyl)acetyl]-propylamino]acetic acid
CID 61012209
2-(2-hydroxyphenyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide
CID 78916891
2-[propyl(3-pyridin-2-ylpropanoyl)amino]acetic acid
CID 114289646
2-[[2-(7-methyl-1H-indol-3-yl)acetyl]-propylamino]acetic acid
CID 119205068
2-[3-indol-1-ylpropanoyl(propyl)amino]acetic acid
CID 119205084
2-[2-(dipropylamino)-2-oxoethyl]benzoic acid
CID 112568579
N,N-dipropylacridine-9-carboxamide
CID 170440983
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-naphthalen-2-yl-N-propylacetamide
CID 135962407

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-oxo-1H-benzo[b][1,8]naphthyridin-3-yl)acetyl]-propylamino]acetic acid?
The IUPAC name of 2-[[2-(2-oxo-1H-benzo[b][1,8]naphthyridin-3-yl)acetyl]-propylamino]acetic acid (CID 20596347) is 2-[[2-(2-oxo-1H-benzo[b][1,8]naphthyridin-3-yl)acetyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-(2-oxo-1H-benzo[b][1,8]naphthyridin-3-yl)acetyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[2-(2-oxo-1H-benzo[b][1,8]naphthyridin-3-yl)acetyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)Cc1cc2cc3ccccc3nc2[nH]c1=O.
What is the InChIKey of 2-[[2-(2-oxo-1H-benzo[b][1,8]naphthyridin-3-yl)acetyl]-propylamino]acetic acid?
The InChIKey is VNFOWQFQRFVCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-2-7-22(11-17(24)25)16(23)10-14-9-13-8-12-5-3-4-6-15(12)20-18(13)21-19(14)26/h3-6,8-9H,2,7,10-11H2,1H3,(H,24,25)(H,20,21,26).
What are the key properties of 2-[[2-(2-oxo-1H-benzo[b][1,8]naphthyridin-3-yl)acetyl]-propylamino]acetic acid?
2-[[2-(2-oxo-1H-benzo[b][1,8]naphthyridin-3-yl)acetyl]-propylamino]acetic acid has a molecular weight of 353.38 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-oxo-1H-benzo[b][1,8]naphthyridin-3-yl)acetyl]-propylamino]acetic acid is sourced from PubChem (CID 20596347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).