N-(1H-indazol-5-yl)-6-nitroquinazolin-4-amine

C15H10N6O2 — CID 23366750

IUPACN-(1H-indazol-5-yl)-6-nitroquinazolin-4-amine
SMILESO=[N+]([O-])c1ccc2ncnc(Nc3ccc4[nH]ncc4c3)c2c1
InChIInChI=1S/C15H10N6O2/c22-21(23)11-2-4-14-12(6-11)15(17-8-16-14)19-10-1-3-13-9(5-10)7-18-20-13/h1-8H,(H,18,20)(H,16,17,19)
InChIKeyZHPDKDRDPUFUCG-UHFFFAOYSA-N
MW306.29 g/mol
LogP3.16
Rot. Bonds3

About N-(1H-indazol-5-yl)-6-nitroquinazolin-4-amine

N-(1H-indazol-5-yl)-6-nitroquinazolin-4-amine (PubChem CID 23366750) has the molecular formula C15H10N6O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-6-nitroquinazolin-4-amine.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-6-nitroquinazolin-4-amine
PubChem CID23366750
Molecular FormulaC15H10N6O2
Molecular Weight306.29 g/mol
Exact Mass306.09
IUPAC NameN-(1H-indazol-5-yl)-6-nitroquinazolin-4-amine
SMILESO=[N+]([O-])c1ccc2ncnc(Nc3ccc4[nH]ncc4c3)c2c1
InChIInChI=1S/C15H10N6O2/c22-21(23)11-2-4-14-12(6-11)15(17-8-16-14)19-10-1-3-13-9(5-10)7-18-20-13/h1-8H,(H,18,20)(H,16,17,19)
InChIKeyZHPDKDRDPUFUCG-UHFFFAOYSA-N
XLogP3.16
TPSA109.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(1H-indol-5-yl)-6-nitroquinazolin-4-amine;hydrochloride
CID 23366741
4-N-(1H-indazol-5-yl)-6-N,6-N-dimethylquinazoline-4,6-diamine
CID 23366736
N-(4-methylphenyl)-6-nitroquinazolin-4-amine
CID 127027330
N-(3-methyl-5-nitro-2-pyridinyl)-1H-indazol-5-amine
CID 133425970
N-(4-nitrophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 91407901
3-[(6-nitroquinazolin-4-yl)amino]phenol
CID 7200288
N-(2,6-difluoro-4-nitrophenyl)-1H-indazol-5-amine
CID 166232105
N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-nitroquinazolin-4-amine
CID 162431934
N-(1H-indazol-5-yl)-4-nitrobenzenesulfonamide
CID 39832274
N-(1H-indazol-5-yl)-3-nitrobenzamide
CID 17163936
N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 78324014
N-(3-nitrophenyl)quinazolin-4-amine;hydrochloride
CID 2789328

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-6-nitroquinazolin-4-amine?
The IUPAC name of N-(1H-indazol-5-yl)-6-nitroquinazolin-4-amine (CID 23366750) is N-(1H-indazol-5-yl)-6-nitroquinazolin-4-amine.
What is the SMILES notation for N-(1H-indazol-5-yl)-6-nitroquinazolin-4-amine?
The canonical SMILES for N-(1H-indazol-5-yl)-6-nitroquinazolin-4-amine is O=[N+]([O-])c1ccc2ncnc(Nc3ccc4[nH]ncc4c3)c2c1.
What is the InChIKey of N-(1H-indazol-5-yl)-6-nitroquinazolin-4-amine?
The InChIKey is ZHPDKDRDPUFUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6O2/c22-21(23)11-2-4-14-12(6-11)15(17-8-16-14)19-10-1-3-13-9(5-10)7-18-20-13/h1-8H,(H,18,20)(H,16,17,19).
What are the key properties of N-(1H-indazol-5-yl)-6-nitroquinazolin-4-amine?
N-(1H-indazol-5-yl)-6-nitroquinazolin-4-amine has a molecular weight of 306.29 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-6-nitroquinazolin-4-amine is sourced from PubChem (CID 23366750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).