3-(4-chloroquinazolin-7-yl)-2,3-dihydroxypropanamide

C11H10ClN3O3 — CID 171868914

IUPAC3-(4-chloroquinazolin-7-yl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1ccc2c(Cl)ncnc2c1
InChIInChI=1S/C11H10ClN3O3/c12-10-6-2-1-5(3-7(6)14-4-15-10)8(16)9(17)11(13)18/h1-4,8-9,16-17H,(H2,13,18)
InChIKeyCDBZCMDNHVEHRS-UHFFFAOYSA-N
MW267.67 g/mol
LogP0.16
Rot. Bonds3

About 3-(4-chloroquinazolin-7-yl)-2,3-dihydroxypropanamide

3-(4-chloroquinazolin-7-yl)-2,3-dihydroxypropanamide (PubChem CID 171868914) has the molecular formula C11H10ClN3O3 and a molecular weight of 267.67 g/mol. Its IUPAC name is 3-(4-chloroquinazolin-7-yl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(4-chloroquinazolin-7-yl)-2,3-dihydroxypropanamide
PubChem CID171868914
Molecular FormulaC11H10ClN3O3
Molecular Weight267.67 g/mol
Exact Mass267.04
IUPAC Name3-(4-chloroquinazolin-7-yl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1ccc2c(Cl)ncnc2c1
InChIInChI=1S/C11H10ClN3O3/c12-10-6-2-1-5(3-7(6)14-4-15-10)8(16)9(17)11(13)18/h1-4,8-9,16-17H,(H2,13,18)
InChIKeyCDBZCMDNHVEHRS-UHFFFAOYSA-N
XLogP0.16
TPSA109.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(4-chloroquinazolin-7-yl)-2,3-dihydroxypropanoate
CID 171864805
3-(4,6-dichloropyrimidin-5-yl)-2,3-dihydroxypropanamide
CID 171869611
3-(3-amino-1H-indazol-6-yl)-2,3-dihydroxypropanamide
CID 171868406
3-(4-chloropyrimidin-5-yl)-2,3-dihydroxypropanamide
CID 171867605
3-(6-chloro-5-fluoro-3-pyridinyl)-2,3-dihydroxypropanamide
CID 171867911
ethyl 4-chloroquinazoline-7-carboxylate
CID 71743581
3-(3-amino-4-fluorophenyl)-2,3-dihydroxypropanamide
CID 171867878
3-(4-amino-3-bromophenyl)-2,3-dihydroxypropanamide
CID 171869258
3-[4-(2-chloroacetyl)phenyl]-2,3-dihydroxypropanamide
CID 171868481
2,3-dihydroxy-3-(4-methylphenyl)propanamide
CID 171867589
5-(3-amino-1,2-dihydroxy-3-oxopropyl)-1-benzofuran-2-carboxylic acid
CID 171868975
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroxypropanamide
CID 171868354

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloroquinazolin-7-yl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(4-chloroquinazolin-7-yl)-2,3-dihydroxypropanamide (CID 171868914) is 3-(4-chloroquinazolin-7-yl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(4-chloroquinazolin-7-yl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(4-chloroquinazolin-7-yl)-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1ccc2c(Cl)ncnc2c1.
What is the InChIKey of 3-(4-chloroquinazolin-7-yl)-2,3-dihydroxypropanamide?
The InChIKey is CDBZCMDNHVEHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3/c12-10-6-2-1-5(3-7(6)14-4-15-10)8(16)9(17)11(13)18/h1-4,8-9,16-17H,(H2,13,18).
What are the key properties of 3-(4-chloroquinazolin-7-yl)-2,3-dihydroxypropanamide?
3-(4-chloroquinazolin-7-yl)-2,3-dihydroxypropanamide has a molecular weight of 267.67 g/mol, XLogP of 0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloroquinazolin-7-yl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171868914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).