4-chloro-7-fluoro-6-nitroquinazoline;hydrochloride

C8H4Cl2FN3O2 — CID 87727435

IUPAC4-chloro-7-fluoro-6-nitroquinazoline;hydrochloride
SMILESCl.O=[N+]([O-])c1cc2c(Cl)ncnc2cc1F
InChIInChI=1S/C8H3ClFN3O2.ClH/c9-8-4-1-7(13(14)15)5(10)2-6(4)11-3-12-8;/h1-3H;1H
InChIKeyNMTRULYDRFPBTL-UHFFFAOYSA-N
MW264.04 g/mol
LogP2.75
Rot. Bonds1

About 4-chloro-7-fluoro-6-nitroquinazoline;hydrochloride

4-chloro-7-fluoro-6-nitroquinazoline;hydrochloride (PubChem CID 87727435) has the molecular formula C8H4Cl2FN3O2 and a molecular weight of 264.04 g/mol. Its IUPAC name is 4-chloro-7-fluoro-6-nitroquinazoline;hydrochloride.

Molecular Properties

Compound Name4-chloro-7-fluoro-6-nitroquinazoline;hydrochloride
PubChem CID87727435
Molecular FormulaC8H4Cl2FN3O2
Molecular Weight264.04 g/mol
Exact Mass262.97
IUPAC Name4-chloro-7-fluoro-6-nitroquinazoline;hydrochloride
SMILESCl.O=[N+]([O-])c1cc2c(Cl)ncnc2cc1F
InChIInChI=1S/C8H3ClFN3O2.ClH/c9-8-4-1-7(13(14)15)5(10)2-6(4)11-3-12-8;/h1-3H;1H
InChIKeyNMTRULYDRFPBTL-UHFFFAOYSA-N
XLogP2.75
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.04
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

N-(3,4-dichloro-2-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine;hydrochloride
CID 44542523
4-chloro-6-nitro-7-prop-1-ynylquinazoline
CID 158272766
4-chloro-7-ethoxy-6-nitroquinazoline
CID 86727276
7-chloro-N-(3-chloro-4-fluorophenyl)-6-nitroquinazolin-4-amine;hydrochloride
CID 23373693
1,4-difluoro-2,5-dinitrobenzene
CID 14951568
7-fluoro-N-(3-iodophenyl)-6-nitroquinazolin-4-amine
CID 25259033
4-chloro-6-(2,4-difluoro-5-nitrophenyl)pyrimidine
CID 24902220
7-fluoro-6-nitroquinazoline-2,4-diamine
CID 7103331
N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinolin-4-amine
CID 161322524
tert-butyl N-(3-chloro-4-fluorophenyl)-N-(7-fluoro-6-nitroquinazolin-4-yl)carbamate
CID 10274741
sodium;[4-(3-chloro-4-fluoroanilino)-6-nitroquinazolin-7-yl]methanol;N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine;methanol;hydroxide
CID 159595365
7-chloro-N-[(3,4-difluorophenyl)methyl]-6-nitroquinazolin-4-amine
CID 10981027

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-fluoro-6-nitroquinazoline;hydrochloride?
The IUPAC name of 4-chloro-7-fluoro-6-nitroquinazoline;hydrochloride (CID 87727435) is 4-chloro-7-fluoro-6-nitroquinazoline;hydrochloride.
What is the SMILES notation for 4-chloro-7-fluoro-6-nitroquinazoline;hydrochloride?
The canonical SMILES for 4-chloro-7-fluoro-6-nitroquinazoline;hydrochloride is Cl.O=[N+]([O-])c1cc2c(Cl)ncnc2cc1F.
What is the InChIKey of 4-chloro-7-fluoro-6-nitroquinazoline;hydrochloride?
The InChIKey is NMTRULYDRFPBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClFN3O2.ClH/c9-8-4-1-7(13(14)15)5(10)2-6(4)11-3-12-8;/h1-3H;1H.
What are the key properties of 4-chloro-7-fluoro-6-nitroquinazoline;hydrochloride?
4-chloro-7-fluoro-6-nitroquinazoline;hydrochloride has a molecular weight of 264.04 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-fluoro-6-nitroquinazoline;hydrochloride is sourced from PubChem (CID 87727435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).