4-N-[(3-fluorophenyl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine

C19H16FN5 — CID 137417952

IUPAC4-N-[(3-fluorophenyl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
SMILESNc1cc(NCc2cccc(F)c2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C19H16FN5/c20-14-3-1-2-12(8-14)11-22-17-10-19(21)24-18-9-13(4-5-15(17)18)16-6-7-23-25-16/h1-10H,11H2,(H,23,25)(H3,21,22,24)
InChIKeyIMDDKTCMQZKIIF-UHFFFAOYSA-N
MW333.37 g/mol
LogP3.96
Rot. Bonds4

About 4-N-[(3-fluorophenyl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine

4-N-[(3-fluorophenyl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine (PubChem CID 137417952) has the molecular formula C19H16FN5 and a molecular weight of 333.37 g/mol. Its IUPAC name is 4-N-[(3-fluorophenyl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3-fluorophenyl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
PubChem CID137417952
Molecular FormulaC19H16FN5
Molecular Weight333.37 g/mol
Exact Mass333.14
IUPAC Name4-N-[(3-fluorophenyl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
SMILESNc1cc(NCc2cccc(F)c2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C19H16FN5/c20-14-3-1-2-12(8-14)11-22-17-10-19(21)24-18-9-13(4-5-15(17)18)16-6-7-23-25-16/h1-10H,11H2,(H,23,25)(H3,21,22,24)
InChIKeyIMDDKTCMQZKIIF-UHFFFAOYSA-N
XLogP3.96
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-fluorophenyl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine?
The IUPAC name of 4-N-[(3-fluorophenyl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine (CID 137417952) is 4-N-[(3-fluorophenyl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine.
What is the SMILES notation for 4-N-[(3-fluorophenyl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine?
The canonical SMILES for 4-N-[(3-fluorophenyl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine is Nc1cc(NCc2cccc(F)c2)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 4-N-[(3-fluorophenyl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine?
The InChIKey is IMDDKTCMQZKIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5/c20-14-3-1-2-12(8-14)11-22-17-10-19(21)24-18-9-13(4-5-15(17)18)16-6-7-23-25-16/h1-10H,11H2,(H,23,25)(H3,21,22,24).
What are the key properties of 4-N-[(3-fluorophenyl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine?
4-N-[(3-fluorophenyl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine has a molecular weight of 333.37 g/mol, XLogP of 3.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-fluorophenyl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine is sourced from PubChem (CID 137417952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).