N-(5-fluoro-1H-indazol-3-yl)-6-methylquinazolin-4-amine

C16H12FN5 — CID 144534779

IUPACN-(5-fluoro-1H-indazol-3-yl)-6-methylquinazolin-4-amine
SMILESCc1ccc2ncnc(Nc3n[nH]c4ccc(F)cc34)c2c1
InChIInChI=1S/C16H12FN5/c1-9-2-4-13-11(6-9)15(19-8-18-13)20-16-12-7-10(17)3-5-14(12)21-22-16/h2-8H,1H3,(H2,18,19,20,21,22)
InChIKeyLSZGRGNKSPNIBM-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.70
Rot. Bonds2

About N-(5-fluoro-1H-indazol-3-yl)-6-methylquinazolin-4-amine

N-(5-fluoro-1H-indazol-3-yl)-6-methylquinazolin-4-amine (PubChem CID 144534779) has the molecular formula C16H12FN5 and a molecular weight of 293.31 g/mol. Its IUPAC name is N-(5-fluoro-1H-indazol-3-yl)-6-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-(5-fluoro-1H-indazol-3-yl)-6-methylquinazolin-4-amine
PubChem CID144534779
Molecular FormulaC16H12FN5
Molecular Weight293.31 g/mol
Exact Mass293.11
IUPAC NameN-(5-fluoro-1H-indazol-3-yl)-6-methylquinazolin-4-amine
SMILESCc1ccc2ncnc(Nc3n[nH]c4ccc(F)cc34)c2c1
InChIInChI=1S/C16H12FN5/c1-9-2-4-13-11(6-9)15(19-8-18-13)20-16-12-7-10(17)3-5-14(12)21-22-16/h2-8H,1H3,(H2,18,19,20,21,22)
InChIKeyLSZGRGNKSPNIBM-UHFFFAOYSA-N
XLogP3.70
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-(4-methylphenyl)quinazolin-4-amine
CID 5328827
N,5-dimethyl-1H-indazol-3-amine
CID 18679264
N-(2-chloropyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine
CID 87388058
6-fluoro-N-propan-2-ylquinazolin-4-amine
CID 71684168
N-(3-chloro-2-methylphenyl)-6-fluoroquinazolin-4-amine
CID 110434586
3-(5-fluoro-1H-indazol-3-yl)-1,1-dimethylurea
CID 110470406
N-(5-fluoro-1H-indazol-3-yl)-6-propan-2-ylsulfinylquinolin-4-amine
CID 123163102
N-tert-butyl-6-methylquinazolin-4-amine
CID 21002439
4-N-(4-fluorophenyl)quinazoline-4,6-diamine
CID 64590257
5-[[(6-methylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 166209245
6-fluoro-N-quinolin-8-ylquinazolin-4-amine
CID 110434591
N-(2,5-dichlorophenyl)-6-fluoroquinazolin-4-amine
CID 110434593

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1H-indazol-3-yl)-6-methylquinazolin-4-amine?
The IUPAC name of N-(5-fluoro-1H-indazol-3-yl)-6-methylquinazolin-4-amine (CID 144534779) is N-(5-fluoro-1H-indazol-3-yl)-6-methylquinazolin-4-amine.
What is the SMILES notation for N-(5-fluoro-1H-indazol-3-yl)-6-methylquinazolin-4-amine?
The canonical SMILES for N-(5-fluoro-1H-indazol-3-yl)-6-methylquinazolin-4-amine is Cc1ccc2ncnc(Nc3n[nH]c4ccc(F)cc34)c2c1.
What is the InChIKey of N-(5-fluoro-1H-indazol-3-yl)-6-methylquinazolin-4-amine?
The InChIKey is LSZGRGNKSPNIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5/c1-9-2-4-13-11(6-9)15(19-8-18-13)20-16-12-7-10(17)3-5-14(12)21-22-16/h2-8H,1H3,(H2,18,19,20,21,22).
What are the key properties of N-(5-fluoro-1H-indazol-3-yl)-6-methylquinazolin-4-amine?
N-(5-fluoro-1H-indazol-3-yl)-6-methylquinazolin-4-amine has a molecular weight of 293.31 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1H-indazol-3-yl)-6-methylquinazolin-4-amine is sourced from PubChem (CID 144534779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).