6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline

C22H25N3 — CID 121382684

IUPAC6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline
SMILESCC(C)N1CC(c2ccccc2)Cc2cc(-c3cnn(C)c3)ccc21
InChIInChI=1S/C22H25N3/c1-16(2)25-15-20(17-7-5-4-6-8-17)12-19-11-18(9-10-22(19)25)21-13-23-24(3)14-21/h4-11,13-14,16,20H,12,15H2,1-3H3
InChIKeyRVROJDCDKRMJFJ-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.64
Rot. Bonds3

About 6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline

6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline (PubChem CID 121382684) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline
PubChem CID121382684
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC Name6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline
SMILESCC(C)N1CC(c2ccccc2)Cc2cc(-c3cnn(C)c3)ccc21
InChIInChI=1S/C22H25N3/c1-16(2)25-15-20(17-7-5-4-6-8-17)12-19-11-18(9-10-22(19)25)21-13-23-24(3)14-21/h4-11,13-14,16,20H,12,15H2,1-3H3
InChIKeyRVROJDCDKRMJFJ-UHFFFAOYSA-N
XLogP4.64
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline
CID 121382706
(3R)-3-ethyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline
CID 121382739
N-ethyl-6-(1-methylpyrazol-4-yl)-3-phenyl-N-propyl-3,4-dihydro-2H-quinolin-1-amine
CID 145091589
3-methoxy-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 121385700
2-[(3S)-5-(1-methylpyrazol-4-yl)-1-propan-2-yl-2,3-dihydroindol-3-yl]acetonitrile
CID 121382703
(3R)-3-ethynyl-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 139398485
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
5-(1-methylpyrazol-4-yl)-1-propan-2-ylspiro[2H-indole-3,1'-cyclobutane]
CID 121382786
(3R)-1-butan-2-yl-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 139398709
1,3-dimethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;heptane
CID 145105875
[1-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]methanol
CID 145091312
1-hexan-3-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 139398312

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline (CID 121382684) is 6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline is CC(C)N1CC(c2ccccc2)Cc2cc(-c3cnn(C)c3)ccc21.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline?
The InChIKey is RVROJDCDKRMJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-16(2)25-15-20(17-7-5-4-6-8-17)12-19-11-18(9-10-22(19)25)21-13-23-24(3)14-21/h4-11,13-14,16,20H,12,15H2,1-3H3.
What are the key properties of 6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline?
6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline has a molecular weight of 331.46 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 121382684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).