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

C22H25N3 — CID 121382706

IUPAC(3R)-6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline
SMILESCC(C)N1C[C@@H](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/t20-/m0/s1
InChIKeyRVROJDCDKRMJFJ-FQEVSTJZSA-N
MW331.46 g/mol
LogP4.64
Rot. Bonds3

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

(3R)-6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline (PubChem CID 121382706) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is (3R)-6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name(3R)-6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline
PubChem CID121382706
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC Name(3R)-6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline
SMILESCC(C)N1C[C@@H](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/t20-/m0/s1
InChIKeyRVROJDCDKRMJFJ-FQEVSTJZSA-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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Frequently Asked Questions

What is the IUPAC name of (3R)-6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline?
The IUPAC name of (3R)-6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline (CID 121382706) is (3R)-6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for (3R)-6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline?
The canonical SMILES for (3R)-6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline is CC(C)N1C[C@@H](c2ccccc2)Cc2cc(-c3cnn(C)c3)ccc21.
What is the InChIKey of (3R)-6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline?
The InChIKey is RVROJDCDKRMJFJ-FQEVSTJZSA-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/t20-/m0/s1.
What are the key properties of (3R)-6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline?
(3R)-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 (3R)-6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 121382706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).