3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one

C24H19N3O2 — CID 67013506

IUPAC3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one
SMILESCc1cc(C)n(C(=O)c2ccc(C=CC(=O)c3ccc4ccccc4n3)cc2)n1
InChIInChI=1S/C24H19N3O2/c1-16-15-17(2)27(26-16)24(29)20-10-7-18(8-11-20)9-14-23(28)22-13-12-19-5-3-4-6-21(19)25-22/h3-15H,1-2H3
InChIKeyDTELXVRBXJVWKG-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.63
Rot. Bonds4

About 3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one

3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one (PubChem CID 67013506) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one
PubChem CID67013506
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one
SMILESCc1cc(C)n(C(=O)c2ccc(C=CC(=O)c3ccc4ccccc4n3)cc2)n1
InChIInChI=1S/C24H19N3O2/c1-16-15-17(2)27(26-16)24(29)20-10-7-18(8-11-20)9-14-23(28)22-13-12-19-5-3-4-6-21(19)25-22/h3-15H,1-2H3
InChIKeyDTELXVRBXJVWKG-UHFFFAOYSA-N
XLogP4.63
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-phenyl-1-quinolin-2-ylprop-2-en-1-one
CID 23656826
3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one
CID 67013153
3-[4-[4-(2,3-dichlorophenyl)piperazine-1-carbonyl]phenyl]-1-quinolin-2-ylprop-2-en-1-one
CID 67013306
(3-bromo-4-methylphenyl)-(3,5-dimethylpyrazol-1-yl)methanone
CID 675749
(E)-1-naphthalen-2-yl-3-[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 10939059
4-hydroxy-3-[(E)-3-[4-[(E)-2-quinolin-2-ylethenyl]phenyl]prop-2-enoyl]benzoic acid
CID 10622076
1-(3,5-dimethylpyrazol-1-yl)-2-naphthalen-2-yloxyethanone
CID 3157080
3-methyl-1-quinolin-2-ylbut-2-en-1-one
CID 79190810
(E)-1-naphthalen-2-yl-3-quinoxalin-6-ylprop-2-en-1-one
CID 176900312
(3,5-dimethylphenyl)-quinolin-2-ylmethanone
CID 63222794
(E)-1-[4-(4-acetylpiperazine-1-carbonyl)phenyl]-3-quinolin-2-ylprop-2-en-1-one
CID 11718577
(E)-1-naphthalen-2-yl-3-quinolin-2-ylprop-2-en-1-one
CID 66760009

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one?
The IUPAC name of 3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one (CID 67013506) is 3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one.
What is the SMILES notation for 3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one?
The canonical SMILES for 3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one is Cc1cc(C)n(C(=O)c2ccc(C=CC(=O)c3ccc4ccccc4n3)cc2)n1.
What is the InChIKey of 3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one?
The InChIKey is DTELXVRBXJVWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-16-15-17(2)27(26-16)24(29)20-10-7-18(8-11-20)9-14-23(28)22-13-12-19-5-3-4-6-21(19)25-22/h3-15H,1-2H3.
What are the key properties of 3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one?
3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one has a molecular weight of 381.44 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one is sourced from PubChem (CID 67013506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).