[(2R)-1-oxo-1-(4-oxo-3-quinolin-2-ylchromen-7-yl)oxypropan-2-yl]azanium

C21H17N2O4+ — CID 7069103

IUPAC[(2R)-1-oxo-1-(4-oxo-3-quinolin-2-ylchromen-7-yl)oxypropan-2-yl]azanium
SMILESC[C@@H]([NH3+])C(=O)Oc1ccc2c(=O)c(-c3ccc4ccccc4n3)coc2c1
InChIInChI=1S/C21H16N2O4/c1-12(22)21(25)27-14-7-8-15-19(10-14)26-11-16(20(15)24)18-9-6-13-4-2-3-5-17(13)23-18/h2-12H,22H2,1H3/p+1/t12-/m1/s1
InChIKeyKYLDCEFZACYNSV-GFCCVEGCSA-O
MW361.38 g/mol
LogP2.54
Rot. Bonds3

About [(2R)-1-oxo-1-(4-oxo-3-quinolin-2-ylchromen-7-yl)oxypropan-2-yl]azanium

[(2R)-1-oxo-1-(4-oxo-3-quinolin-2-ylchromen-7-yl)oxypropan-2-yl]azanium (PubChem CID 7069103) has the molecular formula C21H17N2O4+ and a molecular weight of 361.38 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(4-oxo-3-quinolin-2-ylchromen-7-yl)oxypropan-2-yl]azanium.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(4-oxo-3-quinolin-2-ylchromen-7-yl)oxypropan-2-yl]azanium
PubChem CID7069103
Molecular FormulaC21H17N2O4+
Molecular Weight361.38 g/mol
Exact Mass361.12
IUPAC Name[(2R)-1-oxo-1-(4-oxo-3-quinolin-2-ylchromen-7-yl)oxypropan-2-yl]azanium
SMILESC[C@@H]([NH3+])C(=O)Oc1ccc2c(=O)c(-c3ccc4ccccc4n3)coc2c1
InChIInChI=1S/C21H16N2O4/c1-12(22)21(25)27-14-7-8-15-19(10-14)26-11-16(20(15)24)18-9-6-13-4-2-3-5-17(13)23-18/h2-12H,22H2,1H3/p+1/t12-/m1/s1
InChIKeyKYLDCEFZACYNSV-GFCCVEGCSA-O
XLogP2.54
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2R)-1-oxo-1-(4-oxo-3-quinolin-2-ylchromen-7-yl)oxypropan-2-yl]azanium with MolForge

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Related Compounds

[3-(1,2-oxazol-3-yl)-4-oxochromen-7-yl] 2-aminopropanoate
CID 4025868
[3-(1,2-oxazol-3-yl)-4-oxochromen-7-yl] 2-aminopropanoate;hydrochloride
CID 16824414
(4-oxo-3-phenylchromen-7-yl) 2-chloro-2-phenylacetate
CID 110274410
(4-oxo-3-phenoxychromen-7-yl) 2-aminopropanoate
CID 21204069
(4-oxo-3-phenylchromen-7-yl) 2-methoxyacetate
CID 23965769
7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one
CID 101159250
(4-oxo-3-phenylchromen-7-yl) 2-phenoxyacetate
CID 8913011
7-methoxy-2-methyl-3-quinolin-2-ylchromen-4-one
CID 2327583
7-ethoxy-2-methyl-3-quinolin-2-ylchromen-4-one
CID 23854701
(4-oxo-3-phenylchromen-7-yl) 2-oxochromene-3-carboxylate
CID 992388
2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid
CID 15122627
[3-(4-chlorophenyl)-4-oxochromen-7-yl] (2R)-2-(phenylmethoxycarbonylamino)propanoate
CID 92851479

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(4-oxo-3-quinolin-2-ylchromen-7-yl)oxypropan-2-yl]azanium?
The IUPAC name of [(2R)-1-oxo-1-(4-oxo-3-quinolin-2-ylchromen-7-yl)oxypropan-2-yl]azanium (CID 7069103) is [(2R)-1-oxo-1-(4-oxo-3-quinolin-2-ylchromen-7-yl)oxypropan-2-yl]azanium.
What is the SMILES notation for [(2R)-1-oxo-1-(4-oxo-3-quinolin-2-ylchromen-7-yl)oxypropan-2-yl]azanium?
The canonical SMILES for [(2R)-1-oxo-1-(4-oxo-3-quinolin-2-ylchromen-7-yl)oxypropan-2-yl]azanium is C[C@@H]([NH3+])C(=O)Oc1ccc2c(=O)c(-c3ccc4ccccc4n3)coc2c1.
What is the InChIKey of [(2R)-1-oxo-1-(4-oxo-3-quinolin-2-ylchromen-7-yl)oxypropan-2-yl]azanium?
The InChIKey is KYLDCEFZACYNSV-GFCCVEGCSA-O. The full InChI is InChI=1S/C21H16N2O4/c1-12(22)21(25)27-14-7-8-15-19(10-14)26-11-16(20(15)24)18-9-6-13-4-2-3-5-17(13)23-18/h2-12H,22H2,1H3/p+1/t12-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(4-oxo-3-quinolin-2-ylchromen-7-yl)oxypropan-2-yl]azanium?
[(2R)-1-oxo-1-(4-oxo-3-quinolin-2-ylchromen-7-yl)oxypropan-2-yl]azanium has a molecular weight of 361.38 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(4-oxo-3-quinolin-2-ylchromen-7-yl)oxypropan-2-yl]azanium is sourced from PubChem (CID 7069103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).