4-chloro-7-(oxolan-3-yloxy)quinazolin-6-ol;oxolane

C16H19ClN2O4 — CID 143534865

IUPAC4-chloro-7-(oxolan-3-yloxy)quinazolin-6-ol;oxolane
SMILESC1CCOC1.Oc1cc2c(Cl)ncnc2cc1OC1CCOC1
InChIInChI=1S/C12H11ClN2O3.C4H8O/c13-12-8-3-10(16)11(4-9(8)14-6-15-12)18-7-1-2-17-5-7;1-2-4-5-3-1/h3-4,6-7,16H,1-2,5H2;1-4H2
InChIKeyPQCSXLYDCWKJEV-UHFFFAOYSA-N
MW338.79 g/mol
LogP2.95
Rot. Bonds2

About 4-chloro-7-(oxolan-3-yloxy)quinazolin-6-ol;oxolane

4-chloro-7-(oxolan-3-yloxy)quinazolin-6-ol;oxolane (PubChem CID 143534865) has the molecular formula C16H19ClN2O4 and a molecular weight of 338.79 g/mol. Its IUPAC name is 4-chloro-7-(oxolan-3-yloxy)quinazolin-6-ol;oxolane.

Molecular Properties

Compound Name4-chloro-7-(oxolan-3-yloxy)quinazolin-6-ol;oxolane
PubChem CID143534865
Molecular FormulaC16H19ClN2O4
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC Name4-chloro-7-(oxolan-3-yloxy)quinazolin-6-ol;oxolane
SMILESC1CCOC1.Oc1cc2c(Cl)ncnc2cc1OC1CCOC1
InChIInChI=1S/C12H11ClN2O3.C4H8O/c13-12-8-3-10(16)11(4-9(8)14-6-15-12)18-7-1-2-17-5-7;1-2-4-5-3-1/h3-4,6-7,16H,1-2,5H2;1-4H2
InChIKeyPQCSXLYDCWKJEV-UHFFFAOYSA-N
XLogP2.95
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-bromo-4-chloro-7-[(3S)-oxolan-3-yl]oxyquinazoline
CID 169231093
ethyl 7-[4-chloro-7-(oxolan-3-yloxy)quinazolin-6-yl]oxyheptanoate
CID 141439252
7-[(3S)-oxolan-3-yl]oxyquinazoline-4,6-diamine
CID 164962336
N-(3-chloro-4-fluorophenyl)-7-(oxolan-3-yloxy)-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine
CID 143534857
N-(3-chloro-2-fluorophenyl)-6,7-bis(oxolan-3-yloxy)quinazolin-4-amine
CID 24743956
7-(oxolan-3-yloxy)quinazolin-4-amine
CID 150616160
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine
CID 10216011
N-(3-chloro-2-fluorophenyl)-6-nitro-7-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine
CID 163197476
N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]formamide
CID 154631182
1-amino-3-[4-(3-chloro-4-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]urea
CID 174996184
6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile
CID 175925119
6-bromo-4-methyl-8-[(3S)-oxolan-3-yl]oxyquinazoline
CID 135197733

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-(oxolan-3-yloxy)quinazolin-6-ol;oxolane?
The IUPAC name of 4-chloro-7-(oxolan-3-yloxy)quinazolin-6-ol;oxolane (CID 143534865) is 4-chloro-7-(oxolan-3-yloxy)quinazolin-6-ol;oxolane.
What is the SMILES notation for 4-chloro-7-(oxolan-3-yloxy)quinazolin-6-ol;oxolane?
The canonical SMILES for 4-chloro-7-(oxolan-3-yloxy)quinazolin-6-ol;oxolane is C1CCOC1.Oc1cc2c(Cl)ncnc2cc1OC1CCOC1.
What is the InChIKey of 4-chloro-7-(oxolan-3-yloxy)quinazolin-6-ol;oxolane?
The InChIKey is PQCSXLYDCWKJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3.C4H8O/c13-12-8-3-10(16)11(4-9(8)14-6-15-12)18-7-1-2-17-5-7;1-2-4-5-3-1/h3-4,6-7,16H,1-2,5H2;1-4H2.
What are the key properties of 4-chloro-7-(oxolan-3-yloxy)quinazolin-6-ol;oxolane?
4-chloro-7-(oxolan-3-yloxy)quinazolin-6-ol;oxolane has a molecular weight of 338.79 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-(oxolan-3-yloxy)quinazolin-6-ol;oxolane is sourced from PubChem (CID 143534865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).