1-[3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropyl]pyrrolidin-2-one

C19H21N5O2 — CID 137417810

IUPAC1-[3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropyl]pyrrolidin-2-one
SMILESNc1cc(OCCCN2CCCC2=O)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C19H21N5O2/c20-18-12-17(26-10-2-9-24-8-1-3-19(24)25)14-5-4-13(11-16(14)22-18)15-6-7-21-23-15/h4-7,11-12H,1-3,8-10H2,(H2,20,22)(H,21,23)
InChIKeySPOHALPGVQVOAE-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.60
Rot. Bonds6

About 1-[3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropyl]pyrrolidin-2-one

1-[3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropyl]pyrrolidin-2-one (PubChem CID 137417810) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropyl]pyrrolidin-2-one
PubChem CID137417810
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-[3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropyl]pyrrolidin-2-one
SMILESNc1cc(OCCCN2CCCC2=O)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C19H21N5O2/c20-18-12-17(26-10-2-9-24-8-1-3-19(24)25)14-5-4-13(11-16(14)22-18)15-6-7-21-23-15/h4-7,11-12H,1-3,8-10H2,(H2,20,22)(H,21,23)
InChIKeySPOHALPGVQVOAE-UHFFFAOYSA-N
XLogP2.60
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropyl]pyrrolidin-2-one (CID 137417810) is 1-[3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropyl]pyrrolidin-2-one is Nc1cc(OCCCN2CCCC2=O)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 1-[3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropyl]pyrrolidin-2-one?
The InChIKey is SPOHALPGVQVOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c20-18-12-17(26-10-2-9-24-8-1-3-19(24)25)14-5-4-13(11-16(14)22-18)15-6-7-21-23-15/h4-7,11-12H,1-3,8-10H2,(H2,20,22)(H,21,23).
What are the key properties of 1-[3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropyl]pyrrolidin-2-one?
1-[3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropyl]pyrrolidin-2-one has a molecular weight of 351.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropyl]pyrrolidin-2-one is sourced from PubChem (CID 137417810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).