4-chloro-7-ethoxy-6-nitroquinazoline

C10H8ClN3O3 — CID 86727276

IUPAC4-chloro-7-ethoxy-6-nitroquinazoline
SMILESCCOc1cc2ncnc(Cl)c2cc1[N+](=O)[O-]
InChIInChI=1S/C10H8ClN3O3/c1-2-17-9-4-7-6(3-8(9)14(15)16)10(11)13-5-12-7/h3-5H,2H2,1H3
InChIKeyZVWONSBQCPLTFB-UHFFFAOYSA-N
MW253.65 g/mol
LogP2.59
Rot. Bonds3

About 4-chloro-7-ethoxy-6-nitroquinazoline

4-chloro-7-ethoxy-6-nitroquinazoline (PubChem CID 86727276) has the molecular formula C10H8ClN3O3 and a molecular weight of 253.65 g/mol. Its IUPAC name is 4-chloro-7-ethoxy-6-nitroquinazoline.

Molecular Properties

Compound Name4-chloro-7-ethoxy-6-nitroquinazoline
PubChem CID86727276
Molecular FormulaC10H8ClN3O3
Molecular Weight253.65 g/mol
Exact Mass253.03
IUPAC Name4-chloro-7-ethoxy-6-nitroquinazoline
SMILESCCOc1cc2ncnc(Cl)c2cc1[N+](=O)[O-]
InChIInChI=1S/C10H8ClN3O3/c1-2-17-9-4-7-6(3-8(9)14(15)16)10(11)13-5-12-7/h3-5H,2H2,1H3
InChIKeyZVWONSBQCPLTFB-UHFFFAOYSA-N
XLogP2.59
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-7-fluoro-6-nitroquinazoline;hydrochloride
CID 87727435
4-chloro-6-nitro-7-prop-1-ynylquinazoline
CID 158272766
(7-methoxy-6-nitroquinazolin-4-yl)methanamine
CID 66609386
4-ethoxy-3-nitrobenzenesulfonyl chloride
CID 21412386
7-(2-methoxyethoxy)-6-nitroquinazoline
CID 86758317
N-(4-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)-6-nitroquinazolin-4-amine
CID 18753423
4-chloro-6-methoxy-8-nitroquinazoline
CID 104782208
2-ethoxy-4,6-dinitrobenzene-1,3-diol
CID 139703790
2-[6-nitro-4-(2,4,5-trichloroanilino)quinazolin-7-yl]oxyethylcarbamic acid
CID 69100721
4-chloro-7-(3-chloropropoxy)-6-methoxyquinazoline
CID 57447227
4-ethoxy-3-nitroaniline;hydrochloride
CID 171316041
4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-chloro-5-methoxypyrimidine
CID 103483204

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-ethoxy-6-nitroquinazoline?
The IUPAC name of 4-chloro-7-ethoxy-6-nitroquinazoline (CID 86727276) is 4-chloro-7-ethoxy-6-nitroquinazoline.
What is the SMILES notation for 4-chloro-7-ethoxy-6-nitroquinazoline?
The canonical SMILES for 4-chloro-7-ethoxy-6-nitroquinazoline is CCOc1cc2ncnc(Cl)c2cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-7-ethoxy-6-nitroquinazoline?
The InChIKey is ZVWONSBQCPLTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O3/c1-2-17-9-4-7-6(3-8(9)14(15)16)10(11)13-5-12-7/h3-5H,2H2,1H3.
What are the key properties of 4-chloro-7-ethoxy-6-nitroquinazoline?
4-chloro-7-ethoxy-6-nitroquinazoline has a molecular weight of 253.65 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-ethoxy-6-nitroquinazoline is sourced from PubChem (CID 86727276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).