6-chloro-7-nitro-N-phenylquinazolin-4-amine

C14H9ClN4O2 — CID 141449304

IUPAC6-chloro-7-nitro-N-phenylquinazolin-4-amine
SMILESO=[N+]([O-])c1cc2ncnc(Nc3ccccc3)c2cc1Cl
InChIInChI=1S/C14H9ClN4O2/c15-11-6-10-12(7-13(11)19(20)21)16-8-17-14(10)18-9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
InChIKeyXLFZENLWZZTRNP-UHFFFAOYSA-N
MW300.71 g/mol
LogP3.93
Rot. Bonds3

About 6-chloro-7-nitro-N-phenylquinazolin-4-amine

6-chloro-7-nitro-N-phenylquinazolin-4-amine (PubChem CID 141449304) has the molecular formula C14H9ClN4O2 and a molecular weight of 300.71 g/mol. Its IUPAC name is 6-chloro-7-nitro-N-phenylquinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-7-nitro-N-phenylquinazolin-4-amine
PubChem CID141449304
Molecular FormulaC14H9ClN4O2
Molecular Weight300.71 g/mol
Exact Mass300.04
IUPAC Name6-chloro-7-nitro-N-phenylquinazolin-4-amine
SMILESO=[N+]([O-])c1cc2ncnc(Nc3ccccc3)c2cc1Cl
InChIInChI=1S/C14H9ClN4O2/c15-11-6-10-12(7-13(11)19(20)21)16-8-17-14(10)18-9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
InChIKeyXLFZENLWZZTRNP-UHFFFAOYSA-N
XLogP3.93
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 53.93
H-Bond Donors ≤ 51
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

N'-(7-chloro-6-nitroquinazolin-4-yl)-N-phenylethane-1,2-diamine
CID 70098751
7-chloro-N-(3-chloro-4-fluorophenyl)-6-nitroquinazolin-4-amine;hydrochloride
CID 23373693
7-N-ethyl-6-nitro-4-N-phenylquinazoline-4,7-diamine
CID 22921757
7-methyl-6-nitro-N-(4-phenoxyphenyl)quinazolin-4-amine
CID 167668769
4-(3-chloro-4-fluoroanilino)-6-nitroquinazolin-7-ol
CID 137285542
7-chloro-N-(3-ethynylphenyl)-6-nitroquinazolin-4-amine;N-(3-ethynylphenyl)-7-methoxy-6-nitroquinazolin-4-amine;hydrochloride
CID 158470412
5-chloro-2,4-dinitro-N-phenylaniline
CID 22749530
7-fluoro-N-(3-iodophenyl)-6-nitroquinazolin-4-amine
CID 25259033
6,7-dimethyl-N-phenylquinazolin-4-amine;ethane;methane
CID 169425535
N-(3-nitrophenyl)quinazolin-4-amine;hydrochloride
CID 2789328
7-chloro-N-[(3,4-difluorophenyl)methyl]-6-nitroquinazolin-4-amine
CID 10981027
2-chloro-1-N-phenyl-4-N-quinazolin-4-ylbenzene-1,4-diamine
CID 57151753

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-nitro-N-phenylquinazolin-4-amine?
The IUPAC name of 6-chloro-7-nitro-N-phenylquinazolin-4-amine (CID 141449304) is 6-chloro-7-nitro-N-phenylquinazolin-4-amine.
What is the SMILES notation for 6-chloro-7-nitro-N-phenylquinazolin-4-amine?
The canonical SMILES for 6-chloro-7-nitro-N-phenylquinazolin-4-amine is O=[N+]([O-])c1cc2ncnc(Nc3ccccc3)c2cc1Cl.
What is the InChIKey of 6-chloro-7-nitro-N-phenylquinazolin-4-amine?
The InChIKey is XLFZENLWZZTRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4O2/c15-11-6-10-12(7-13(11)19(20)21)16-8-17-14(10)18-9-4-2-1-3-5-9/h1-8H,(H,16,17,18).
What are the key properties of 6-chloro-7-nitro-N-phenylquinazolin-4-amine?
6-chloro-7-nitro-N-phenylquinazolin-4-amine has a molecular weight of 300.71 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-nitro-N-phenylquinazolin-4-amine is sourced from PubChem (CID 141449304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).