3-[(oxolan-2-ylmethylamino)methyl]-7-(1H-pyrazol-5-yl)quinolin-2-amine

C18H21N5O — CID 137417892

IUPAC3-[(oxolan-2-ylmethylamino)methyl]-7-(1H-pyrazol-5-yl)quinolin-2-amine
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2cc1CNCC1CCCO1
InChIInChI=1S/C18H21N5O/c19-18-14(10-20-11-15-2-1-7-24-15)8-12-3-4-13(9-17(12)22-18)16-5-6-21-23-16/h3-6,8-9,15,20H,1-2,7,10-11H2,(H2,19,22)(H,21,23)
InChIKeyWHMVBYSMJYXXSH-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.48
Rot. Bonds5

About 3-[(oxolan-2-ylmethylamino)methyl]-7-(1H-pyrazol-5-yl)quinolin-2-amine

3-[(oxolan-2-ylmethylamino)methyl]-7-(1H-pyrazol-5-yl)quinolin-2-amine (PubChem CID 137417892) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[(oxolan-2-ylmethylamino)methyl]-7-(1H-pyrazol-5-yl)quinolin-2-amine.

Molecular Properties

Compound Name3-[(oxolan-2-ylmethylamino)methyl]-7-(1H-pyrazol-5-yl)quinolin-2-amine
PubChem CID137417892
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name3-[(oxolan-2-ylmethylamino)methyl]-7-(1H-pyrazol-5-yl)quinolin-2-amine
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2cc1CNCC1CCCO1
InChIInChI=1S/C18H21N5O/c19-18-14(10-20-11-15-2-1-7-24-15)8-12-3-4-13(9-17(12)22-18)16-5-6-21-23-16/h3-6,8-9,15,20H,1-2,7,10-11H2,(H2,19,22)(H,21,23)
InChIKeyWHMVBYSMJYXXSH-UHFFFAOYSA-N
XLogP2.48
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(oxolan-2-ylmethylamino)methyl]-7-(1H-pyrazol-5-yl)quinolin-2-amine?
The IUPAC name of 3-[(oxolan-2-ylmethylamino)methyl]-7-(1H-pyrazol-5-yl)quinolin-2-amine (CID 137417892) is 3-[(oxolan-2-ylmethylamino)methyl]-7-(1H-pyrazol-5-yl)quinolin-2-amine.
What is the SMILES notation for 3-[(oxolan-2-ylmethylamino)methyl]-7-(1H-pyrazol-5-yl)quinolin-2-amine?
The canonical SMILES for 3-[(oxolan-2-ylmethylamino)methyl]-7-(1H-pyrazol-5-yl)quinolin-2-amine is Nc1nc2cc(-c3ccn[nH]3)ccc2cc1CNCC1CCCO1.
What is the InChIKey of 3-[(oxolan-2-ylmethylamino)methyl]-7-(1H-pyrazol-5-yl)quinolin-2-amine?
The InChIKey is WHMVBYSMJYXXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c19-18-14(10-20-11-15-2-1-7-24-15)8-12-3-4-13(9-17(12)22-18)16-5-6-21-23-16/h3-6,8-9,15,20H,1-2,7,10-11H2,(H2,19,22)(H,21,23).
What are the key properties of 3-[(oxolan-2-ylmethylamino)methyl]-7-(1H-pyrazol-5-yl)quinolin-2-amine?
3-[(oxolan-2-ylmethylamino)methyl]-7-(1H-pyrazol-5-yl)quinolin-2-amine has a molecular weight of 323.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(oxolan-2-ylmethylamino)methyl]-7-(1H-pyrazol-5-yl)quinolin-2-amine is sourced from PubChem (CID 137417892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).