2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid

C20H18N4O5 — CID 10475707

IUPAC2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid
SMILESCOc1c(OCC(=O)O)ccc2c1N=C(CC(=O)c1cccnc1)N1CCN=C21
InChIInChI=1S/C20H18N4O5/c1-28-19-15(29-11-17(26)27)5-4-13-18(19)23-16(24-8-7-22-20(13)24)9-14(25)12-3-2-6-21-10-12/h2-6,10H,7-9,11H2,1H3,(H,26,27)
InChIKeySHAISVXIJIEVFA-UHFFFAOYSA-N
MW394.39 g/mol
LogP1.93
Rot. Bonds7

About 2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid

2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid (PubChem CID 10475707) has the molecular formula C20H18N4O5 and a molecular weight of 394.39 g/mol. Its IUPAC name is 2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid
PubChem CID10475707
Molecular FormulaC20H18N4O5
Molecular Weight394.39 g/mol
Exact Mass394.13
IUPAC Name2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid
SMILESCOc1c(OCC(=O)O)ccc2c1N=C(CC(=O)c1cccnc1)N1CCN=C21
InChIInChI=1S/C20H18N4O5/c1-28-19-15(29-11-17(26)27)5-4-13-18(19)23-16(24-8-7-22-20(13)24)9-14(25)12-3-2-6-21-10-12/h2-6,10H,7-9,11H2,1H3,(H,26,27)
InChIKeySHAISVXIJIEVFA-UHFFFAOYSA-N
XLogP1.93
TPSA113.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid?
The IUPAC name of 2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid (CID 10475707) is 2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid?
The canonical SMILES for 2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid is COc1c(OCC(=O)O)ccc2c1N=C(CC(=O)c1cccnc1)N1CCN=C21.
What is the InChIKey of 2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid?
The InChIKey is SHAISVXIJIEVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O5/c1-28-19-15(29-11-17(26)27)5-4-13-18(19)23-16(24-8-7-22-20(13)24)9-14(25)12-3-2-6-21-10-12/h2-6,10H,7-9,11H2,1H3,(H,26,27).
What are the key properties of 2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid?
2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid has a molecular weight of 394.39 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid is sourced from PubChem (CID 10475707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).