1-[4-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine

C19H24N4O3 — CID 70285153

IUPAC1-[4-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine
SMILESCOCCOc1ccc2c(OC)cc(-n3ccc(NC(C)C)n3)nc2c1
InChIInChI=1S/C19H24N4O3/c1-13(2)20-18-7-8-23(22-18)19-12-17(25-4)15-6-5-14(11-16(15)21-19)26-10-9-24-3/h5-8,11-13H,9-10H2,1-4H3,(H,20,22)
InChIKeyKLBBPCZQTPKDJT-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.27
Rot. Bonds8

About 1-[4-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine

1-[4-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine (PubChem CID 70285153) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[4-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound Name1-[4-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine
PubChem CID70285153
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-[4-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine
SMILESCOCCOc1ccc2c(OC)cc(-n3ccc(NC(C)C)n3)nc2c1
InChIInChI=1S/C19H24N4O3/c1-13(2)20-18-7-8-23(22-18)19-12-17(25-4)15-6-5-14(11-16(15)21-19)26-10-9-24-3/h5-8,11-13H,9-10H2,1-4H3,(H,20,22)
InChIKeyKLBBPCZQTPKDJT-UHFFFAOYSA-N
XLogP3.27
TPSA70.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine?
The IUPAC name of 1-[4-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine (CID 70285153) is 1-[4-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for 1-[4-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine?
The canonical SMILES for 1-[4-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine is COCCOc1ccc2c(OC)cc(-n3ccc(NC(C)C)n3)nc2c1.
What is the InChIKey of 1-[4-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine?
The InChIKey is KLBBPCZQTPKDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13(2)20-18-7-8-23(22-18)19-12-17(25-4)15-6-5-14(11-16(15)21-19)26-10-9-24-3/h5-8,11-13H,9-10H2,1-4H3,(H,20,22).
What are the key properties of 1-[4-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine?
1-[4-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine has a molecular weight of 356.43 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 70285153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).