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

C19H23ClN4O — CID 142517077

IUPAC4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;ethane
SMILESCC.Nc1cc(Cl)c2ccc(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C17H17ClN4O.C2H6/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;1-2/h4-7,9-10,17H,1-3,8H2,(H2,19,21);1-2H3
InChIKeyLIUAQDDKQQUFMM-UHFFFAOYSA-N
MW358.87 g/mol
LogP5.06
Rot. Bonds2

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

4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;ethane (PubChem CID 142517077) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;ethane.

Molecular Properties

Compound Name4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;ethane
PubChem CID142517077
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;ethane
SMILESCC.Nc1cc(Cl)c2ccc(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C17H17ClN4O.C2H6/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;1-2/h4-7,9-10,17H,1-3,8H2,(H2,19,21);1-2H3
InChIKeyLIUAQDDKQQUFMM-UHFFFAOYSA-N
XLogP5.06
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.87
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Chlorophenyl)-3-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]urea
CID 162643187
1-(3-Chlorophenyl)-3-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]urea
CID 162666110
N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-3,7-dimethylquinolin-2-amine
CID 9627102
US11472802, Example 13
CID 139331352
N-[(E)-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]quinolin-2-amine
CID 145955691
4-Chloro-6-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine
CID 137409052
4-Chloro-8-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine
CID 154649567
4-chloro-8-fluoro-7-(1H-pyrazol-5-yl)quinolin-2-amine
CID 154649576
1-(6-chloro-2-pyridinyl)-4-fluoro-N-[1-(oxan-2-yl)indazol-5-yl]indazol-3-amine
CID 167446906
N-[1-(6-chloro-2-pyridinyl)indazol-3-yl]-4-fluoro-1-(oxan-2-yl)indazol-5-amine
CID 167447203
[(Z)-2-[4-[3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]quinazolin-7-yl]-3-iminoprop-1-enyl]-methylazanium
CID 169231242
CID 173784317
CID 173784317

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;ethane?
The IUPAC name of 4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;ethane (CID 142517077) is 4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;ethane.
What is the SMILES notation for 4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;ethane?
The canonical SMILES for 4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;ethane is CC.Nc1cc(Cl)c2ccc(-c3ccnn3C3CCCCO3)cc2n1.
What is the InChIKey of 4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;ethane?
The InChIKey is LIUAQDDKQQUFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O.C2H6/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;1-2/h4-7,9-10,17H,1-3,8H2,(H2,19,21);1-2H3.
What are the key properties of 4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;ethane?
4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;ethane has a molecular weight of 358.87 g/mol, XLogP of 5.06, 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;ethane is sourced from PubChem (CID 142517077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).