4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;4-chloro-7-(1H-pyrazol-5-yl)quinolin-2-amine

C29H26Cl2N8O — CID 160761522

IUPAC4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;4-chloro-7-(1H-pyrazol-5-yl)quinolin-2-amine
SMILESNc1cc(Cl)c2ccc(-c3ccn[nH]3)cc2n1.Nc1cc(Cl)c2ccc(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C17H17ClN4O.C12H9ClN4/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;13-9-6-12(14)16-11-5-7(1-2-8(9)11)10-3-4-15-17-10/h4-7,9-10,17H,1-3,8H2,(H2,19,21);1-6H,(H2,14,16)(H,15,17)
InChIKeyRYDBTMVEWXEFMJ-UHFFFAOYSA-N
MW573.49 g/mol
LogP6.89
Rot. Bonds3

About 4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;4-chloro-7-(1H-pyrazol-5-yl)quinolin-2-amine

4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;4-chloro-7-(1H-pyrazol-5-yl)quinolin-2-amine (PubChem CID 160761522) has the molecular formula C29H26Cl2N8O and a molecular weight of 573.49 g/mol. Its IUPAC name is 4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;4-chloro-7-(1H-pyrazol-5-yl)quinolin-2-amine.

Molecular Properties

Compound Name4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;4-chloro-7-(1H-pyrazol-5-yl)quinolin-2-amine
PubChem CID160761522
Molecular FormulaC29H26Cl2N8O
Molecular Weight573.49 g/mol
Exact Mass572.16
IUPAC Name4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;4-chloro-7-(1H-pyrazol-5-yl)quinolin-2-amine
SMILESNc1cc(Cl)c2ccc(-c3ccn[nH]3)cc2n1.Nc1cc(Cl)c2ccc(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C17H17ClN4O.C12H9ClN4/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;13-9-6-12(14)16-11-5-7(1-2-8(9)11)10-3-4-15-17-10/h4-7,9-10,17H,1-3,8H2,(H2,19,21);1-6H,(H2,14,16)(H,15,17)
InChIKeyRYDBTMVEWXEFMJ-UHFFFAOYSA-N
XLogP6.89
TPSA133.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.49
LogP ≤ 56.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine
CID 137409001
7-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1H-pyrazol-4-yl)quinolin-2-amine
CID 137409022
4-chloro-7-(1H-pyrazol-5-yl)quinolin-2-amine
CID 137409041
azane;4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
CID 137409071
4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
CID 137409072
4,7-Bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine
CID 137409125
4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]-N-phenylquinolin-2-amine
CID 137409170
4-morpholin-4-yl-7-(1H-pyrazol-5-yl)quinolin-2-amine
CID 137417540
[1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]piperidin-3-yl]methanol
CID 137417611
4-N-(oxan-4-yl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
CID 137417615

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;4-chloro-7-(1H-pyrazol-5-yl)quinolin-2-amine?
The IUPAC name of 4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;4-chloro-7-(1H-pyrazol-5-yl)quinolin-2-amine (CID 160761522) is 4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;4-chloro-7-(1H-pyrazol-5-yl)quinolin-2-amine.
What is the SMILES notation for 4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;4-chloro-7-(1H-pyrazol-5-yl)quinolin-2-amine?
The canonical SMILES for 4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;4-chloro-7-(1H-pyrazol-5-yl)quinolin-2-amine is Nc1cc(Cl)c2ccc(-c3ccn[nH]3)cc2n1.Nc1cc(Cl)c2ccc(-c3ccnn3C3CCCCO3)cc2n1.
What is the InChIKey of 4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;4-chloro-7-(1H-pyrazol-5-yl)quinolin-2-amine?
The InChIKey is RYDBTMVEWXEFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O.C12H9ClN4/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;13-9-6-12(14)16-11-5-7(1-2-8(9)11)10-3-4-15-17-10/h4-7,9-10,17H,1-3,8H2,(H2,19,21);1-6H,(H2,14,16)(H,15,17).
What are the key properties of 4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;4-chloro-7-(1H-pyrazol-5-yl)quinolin-2-amine?
4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;4-chloro-7-(1H-pyrazol-5-yl)quinolin-2-amine has a molecular weight of 573.49 g/mol, XLogP of 6.89, 3 rotatable bonds, 3 hydrogen bond donors, and 8 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;4-chloro-7-(1H-pyrazol-5-yl)quinolin-2-amine is sourced from PubChem (CID 160761522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).