3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-7-methyl-1H-quinolin-2-one

C19H16BrN3O — CID 3095071

IUPAC3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-7-methyl-1H-quinolin-2-one
SMILESCc1ccc2cc(C3CC(c4ccc(Br)cc4)=NN3)c(=O)[nH]c2c1
InChIInChI=1S/C19H16BrN3O/c1-11-2-3-13-9-15(19(24)21-16(13)8-11)18-10-17(22-23-18)12-4-6-14(20)7-5-12/h2-9,18,23H,10H2,1H3,(H,21,24)
InChIKeyHNJIPOXCNUWFNI-UHFFFAOYSA-N
MW382.26 g/mol
LogP4.04
Rot. Bonds2

About 3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-7-methyl-1H-quinolin-2-one

3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-7-methyl-1H-quinolin-2-one (PubChem CID 3095071) has the molecular formula C19H16BrN3O and a molecular weight of 382.26 g/mol. Its IUPAC name is 3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-7-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-7-methyl-1H-quinolin-2-one
PubChem CID3095071
Molecular FormulaC19H16BrN3O
Molecular Weight382.26 g/mol
Exact Mass381.05
IUPAC Name3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-7-methyl-1H-quinolin-2-one
SMILESCc1ccc2cc(C3CC(c4ccc(Br)cc4)=NN3)c(=O)[nH]c2c1
InChIInChI=1S/C19H16BrN3O/c1-11-2-3-13-9-15(19(24)21-16(13)8-11)18-10-17(22-23-18)12-4-6-14(20)7-5-12/h2-9,18,23H,10H2,1H3,(H,21,24)
InChIKeyHNJIPOXCNUWFNI-UHFFFAOYSA-N
XLogP4.04
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-7-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-7-methyl-1H-quinolin-2-one (CID 3095071) is 3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-7-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-7-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-7-methyl-1H-quinolin-2-one is Cc1ccc2cc(C3CC(c4ccc(Br)cc4)=NN3)c(=O)[nH]c2c1.
What is the InChIKey of 3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-7-methyl-1H-quinolin-2-one?
The InChIKey is HNJIPOXCNUWFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O/c1-11-2-3-13-9-15(19(24)21-16(13)8-11)18-10-17(22-23-18)12-4-6-14(20)7-5-12/h2-9,18,23H,10H2,1H3,(H,21,24).
What are the key properties of 3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-7-methyl-1H-quinolin-2-one?
3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-7-methyl-1H-quinolin-2-one has a molecular weight of 382.26 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-7-methyl-1H-quinolin-2-one is sourced from PubChem (CID 3095071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).