4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine

C17H17ClN4O — CID 137409001

IUPAC4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine
SMILESNc1cc(Cl)c2ccc(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C17H17ClN4O/c18-13-10-16(19)21-14-9-11(4-5-12(13)14)15-6-7-20-22(15)17-3-1-2-8-23-17/h4-7,9-10,17H,1-3,8H2,(H2,19,21)
InChIKeySZMCKFIXOUFKQE-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.03
Rot. Bonds2

About 4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine

4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine (PubChem CID 137409001) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine.

Molecular Properties

Compound Name4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine
PubChem CID137409001
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine
SMILESNc1cc(Cl)c2ccc(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C17H17ClN4O/c18-13-10-16(19)21-14-9-11(4-5-12(13)14)15-6-7-20-22(15)17-3-1-2-8-23-17/h4-7,9-10,17H,1-3,8H2,(H2,19,21)
InChIKeySZMCKFIXOUFKQE-UHFFFAOYSA-N
XLogP4.03
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine?
The IUPAC name of 4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine (CID 137409001) is 4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine.
What is the SMILES notation for 4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine?
The canonical SMILES for 4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine is Nc1cc(Cl)c2ccc(-c3ccnn3C3CCCCO3)cc2n1.
What is the InChIKey of 4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine?
The InChIKey is SZMCKFIXOUFKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c18-13-10-16(19)21-14-9-11(4-5-12(13)14)15-6-7-20-22(15)17-3-1-2-8-23-17/h4-7,9-10,17H,1-3,8H2,(H2,19,21).
What are the key properties of 4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine?
4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine has a molecular weight of 328.80 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine is sourced from PubChem (CID 137409001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).