7-bromo-5-fluoro-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine

C13H11BrFN5 — CID 154649617

IUPAC7-bromo-5-fluoro-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine
SMILESNc1cc(NCc2ccn[nH]2)c2c(F)cc(Br)cc2n1
InChIInChI=1S/C13H11BrFN5/c14-7-3-9(15)13-10(5-12(16)19-11(13)4-7)17-6-8-1-2-18-20-8/h1-5H,6H2,(H,18,20)(H3,16,17,19)
InChIKeyUEAWMEKBDNYALM-UHFFFAOYSA-N
MW336.17 g/mol
LogP3.05
Rot. Bonds3

About 7-bromo-5-fluoro-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine

7-bromo-5-fluoro-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine (PubChem CID 154649617) has the molecular formula C13H11BrFN5 and a molecular weight of 336.17 g/mol. Its IUPAC name is 7-bromo-5-fluoro-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine.

Molecular Properties

Compound Name7-bromo-5-fluoro-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine
PubChem CID154649617
Molecular FormulaC13H11BrFN5
Molecular Weight336.17 g/mol
Exact Mass335.02
IUPAC Name7-bromo-5-fluoro-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine
SMILESNc1cc(NCc2ccn[nH]2)c2c(F)cc(Br)cc2n1
InChIInChI=1S/C13H11BrFN5/c14-7-3-9(15)13-10(5-12(16)19-11(13)4-7)17-6-8-1-2-18-20-8/h1-5H,6H2,(H,18,20)(H3,16,17,19)
InChIKeyUEAWMEKBDNYALM-UHFFFAOYSA-N
XLogP3.05
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-1H-pyrazolo[3,4-g]quinazolin-8-amine
CID 5328241
7-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(2,4-difluorophenyl)methyl]quinazoline-2,4-diamine
CID 168269371
2-N-[(4-bromophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 168273943
7-bromo-2-N-[(2,4-difluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 168275815
6-bromo-N-(pyridin-2-ylmethyl)-1H-indazol-4-amine
CID 168298317
6-bromo-N-(pyridin-4-ylmethyl)-1H-indazol-4-amine
CID 146669492
4-N-(2-pyrazol-1-ylethyl)quinoline-2,4-diamine
CID 172453172
6-Bromo-3-(pyridin-2-yl)-1H-indazole
CID 57550801
Pyrazolyl amino quinoline
CID 156613187
N-[(5-bromoquinolin-8-yl)methyl]-2-methylpyrazol-3-amine
CID 84597358
1-(5-bromoquinolin-8-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 86783264
3-bromo-N-(1H-indazol-7-ylmethyl)pyridin-2-amine
CID 99802490

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine?
The IUPAC name of 7-bromo-5-fluoro-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine (CID 154649617) is 7-bromo-5-fluoro-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine.
What is the SMILES notation for 7-bromo-5-fluoro-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine?
The canonical SMILES for 7-bromo-5-fluoro-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine is Nc1cc(NCc2ccn[nH]2)c2c(F)cc(Br)cc2n1.
What is the InChIKey of 7-bromo-5-fluoro-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine?
The InChIKey is UEAWMEKBDNYALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN5/c14-7-3-9(15)13-10(5-12(16)19-11(13)4-7)17-6-8-1-2-18-20-8/h1-5H,6H2,(H,18,20)(H3,16,17,19).
What are the key properties of 7-bromo-5-fluoro-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine?
7-bromo-5-fluoro-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine has a molecular weight of 336.17 g/mol, XLogP of 3.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-fluoro-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine is sourced from PubChem (CID 154649617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).