(8-chloroquinazolin-4-yl) N-(ethylamino)-N-hydroxycarbamate

C11H11ClN4O3 — CID 21473944

IUPAC(8-chloroquinazolin-4-yl) N-(ethylamino)-N-hydroxycarbamate
SMILESCCNN(O)C(=O)Oc1ncnc2c(Cl)cccc12
InChIInChI=1S/C11H11ClN4O3/c1-2-15-16(18)11(17)19-10-7-4-3-5-8(12)9(7)13-6-14-10/h3-6,15,18H,2H2,1H3
InChIKeyITIUWSVSXBQNBS-UHFFFAOYSA-N
MW282.69 g/mol
LogP2.00
Rot. Bonds3

About (8-chloroquinazolin-4-yl) N-(ethylamino)-N-hydroxycarbamate

(8-chloroquinazolin-4-yl) N-(ethylamino)-N-hydroxycarbamate (PubChem CID 21473944) has the molecular formula C11H11ClN4O3 and a molecular weight of 282.69 g/mol. Its IUPAC name is (8-chloroquinazolin-4-yl) N-(ethylamino)-N-hydroxycarbamate.

Molecular Properties

Compound Name(8-chloroquinazolin-4-yl) N-(ethylamino)-N-hydroxycarbamate
PubChem CID21473944
Molecular FormulaC11H11ClN4O3
Molecular Weight282.69 g/mol
Exact Mass282.05
IUPAC Name(8-chloroquinazolin-4-yl) N-(ethylamino)-N-hydroxycarbamate
SMILESCCNN(O)C(=O)Oc1ncnc2c(Cl)cccc12
InChIInChI=1S/C11H11ClN4O3/c1-2-15-16(18)11(17)19-10-7-4-3-5-8(12)9(7)13-6-14-10/h3-6,15,18H,2H2,1H3
InChIKeyITIUWSVSXBQNBS-UHFFFAOYSA-N
XLogP2.00
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-chloroquinazoline-4-carboxylic acid
CID 105462454
2-(8-chloroquinazolin-4-yl)acetic acid
CID 105479928
ethyl 4,8-dichloroquinoline-3-carboxylate
CID 728974
methyl 4,8-dichloroquinoline-3-carboxylate
CID 112703942
2-(6,8-dichloroquinazolin-4-yl)oxy-N-ethylacetamide
CID 2415100
(5-chloroquinolin-8-yl) N,N-diethylcarbamate
CID 712597
8-chloro-N-ethylquinolin-4-amine
CID 62190462
N-[(3-chlorophenyl)methyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
CID 4641621
2-(6,8-dichloroquinazolin-4-yl)oxy-N-(3-methoxyphenyl)acetamide
CID 2704087
ethyl 8-chloro-4-(2-ethyl-6-methylanilino)quinoline-3-carboxylate
CID 23733695
methyl 1-(8-chloroquinolin-4-yl)cyclopropane-1-carboxylate
CID 177269003
ethyl 4-bromo-8-chloroquinoline-3-carboxylate
CID 17040074

Frequently Asked Questions

What is the IUPAC name of (8-chloroquinazolin-4-yl) N-(ethylamino)-N-hydroxycarbamate?
The IUPAC name of (8-chloroquinazolin-4-yl) N-(ethylamino)-N-hydroxycarbamate (CID 21473944) is (8-chloroquinazolin-4-yl) N-(ethylamino)-N-hydroxycarbamate.
What is the SMILES notation for (8-chloroquinazolin-4-yl) N-(ethylamino)-N-hydroxycarbamate?
The canonical SMILES for (8-chloroquinazolin-4-yl) N-(ethylamino)-N-hydroxycarbamate is CCNN(O)C(=O)Oc1ncnc2c(Cl)cccc12.
What is the InChIKey of (8-chloroquinazolin-4-yl) N-(ethylamino)-N-hydroxycarbamate?
The InChIKey is ITIUWSVSXBQNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O3/c1-2-15-16(18)11(17)19-10-7-4-3-5-8(12)9(7)13-6-14-10/h3-6,15,18H,2H2,1H3.
What are the key properties of (8-chloroquinazolin-4-yl) N-(ethylamino)-N-hydroxycarbamate?
(8-chloroquinazolin-4-yl) N-(ethylamino)-N-hydroxycarbamate has a molecular weight of 282.69 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloroquinazolin-4-yl) N-(ethylamino)-N-hydroxycarbamate is sourced from PubChem (CID 21473944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).