4-morpholin-4-yl-7-(1H-pyrazol-5-yl)quinolin-2-amine

C16H17N5O — CID 137417540

IUPAC4-morpholin-4-yl-7-(1H-pyrazol-5-yl)quinolin-2-amine
SMILESNc1cc(N2CCOCC2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C16H17N5O/c17-16-10-15(21-5-7-22-8-6-21)12-2-1-11(9-14(12)19-16)13-3-4-18-20-13/h1-4,9-10H,5-8H2,(H2,17,19)(H,18,20)
InChIKeyUUFHHJCDCXYIIX-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.04
Rot. Bonds2

About 4-morpholin-4-yl-7-(1H-pyrazol-5-yl)quinolin-2-amine

4-morpholin-4-yl-7-(1H-pyrazol-5-yl)quinolin-2-amine (PubChem CID 137417540) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 4-morpholin-4-yl-7-(1H-pyrazol-5-yl)quinolin-2-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-7-(1H-pyrazol-5-yl)quinolin-2-amine
PubChem CID137417540
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name4-morpholin-4-yl-7-(1H-pyrazol-5-yl)quinolin-2-amine
SMILESNc1cc(N2CCOCC2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C16H17N5O/c17-16-10-15(21-5-7-22-8-6-21)12-2-1-11(9-14(12)19-16)13-3-4-18-20-13/h1-4,9-10H,5-8H2,(H2,17,19)(H,18,20)
InChIKeyUUFHHJCDCXYIIX-UHFFFAOYSA-N
XLogP2.04
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-7-(1H-pyrazol-5-yl)quinolin-2-amine?
The IUPAC name of 4-morpholin-4-yl-7-(1H-pyrazol-5-yl)quinolin-2-amine (CID 137417540) is 4-morpholin-4-yl-7-(1H-pyrazol-5-yl)quinolin-2-amine.
What is the SMILES notation for 4-morpholin-4-yl-7-(1H-pyrazol-5-yl)quinolin-2-amine?
The canonical SMILES for 4-morpholin-4-yl-7-(1H-pyrazol-5-yl)quinolin-2-amine is Nc1cc(N2CCOCC2)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 4-morpholin-4-yl-7-(1H-pyrazol-5-yl)quinolin-2-amine?
The InChIKey is UUFHHJCDCXYIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c17-16-10-15(21-5-7-22-8-6-21)12-2-1-11(9-14(12)19-16)13-3-4-18-20-13/h1-4,9-10H,5-8H2,(H2,17,19)(H,18,20).
What are the key properties of 4-morpholin-4-yl-7-(1H-pyrazol-5-yl)quinolin-2-amine?
4-morpholin-4-yl-7-(1H-pyrazol-5-yl)quinolin-2-amine has a molecular weight of 295.35 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-7-(1H-pyrazol-5-yl)quinolin-2-amine is sourced from PubChem (CID 137417540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).