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

C18H25N3 — CID 121382739

IUPAC(3R)-3-ethyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline
SMILESCC[C@@H]1Cc2cc(-c3cnn(C)c3)ccc2N(C(C)C)C1
InChIInChI=1S/C18H25N3/c1-5-14-8-16-9-15(17-10-19-20(4)12-17)6-7-18(16)21(11-14)13(2)3/h6-7,9-10,12-14H,5,8,11H2,1-4H3/t14-/m1/s1
InChIKeyCASHCEGSQXGZIO-CQSZACIVSA-N
MW283.42 g/mol
LogP3.88
Rot. Bonds3

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

(3R)-3-ethyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline (PubChem CID 121382739) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is (3R)-3-ethyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name(3R)-3-ethyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline
PubChem CID121382739
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name(3R)-3-ethyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline
SMILESCC[C@@H]1Cc2cc(-c3cnn(C)c3)ccc2N(C(C)C)C1
InChIInChI=1S/C18H25N3/c1-5-14-8-16-9-15(17-10-19-20(4)12-17)6-7-18(16)21(11-14)13(2)3/h6-7,9-10,12-14H,5,8,11H2,1-4H3/t14-/m1/s1
InChIKeyCASHCEGSQXGZIO-CQSZACIVSA-N
XLogP3.88
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline?
The IUPAC name of (3R)-3-ethyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline (CID 121382739) is (3R)-3-ethyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for (3R)-3-ethyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline?
The canonical SMILES for (3R)-3-ethyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline is CC[C@@H]1Cc2cc(-c3cnn(C)c3)ccc2N(C(C)C)C1.
What is the InChIKey of (3R)-3-ethyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline?
The InChIKey is CASHCEGSQXGZIO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N3/c1-5-14-8-16-9-15(17-10-19-20(4)12-17)6-7-18(16)21(11-14)13(2)3/h6-7,9-10,12-14H,5,8,11H2,1-4H3/t14-/m1/s1.
What are the key properties of (3R)-3-ethyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline?
(3R)-3-ethyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline has a molecular weight of 283.42 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 121382739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).