4-chloro-6-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine

C17H16ClFN4O — CID 137409052

IUPAC4-chloro-6-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine
SMILESNc1cc(Cl)c2cc(F)c(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C17H16ClFN4O/c18-12-9-16(20)22-14-8-11(13(19)7-10(12)14)15-4-5-21-23(15)17-3-1-2-6-24-17/h4-5,7-9,17H,1-3,6H2,(H2,20,22)
InChIKeyUCRPDNOTIQNXDZ-UHFFFAOYSA-N
MW346.79 g/mol
LogP4.17
Rot. Bonds2

About 4-chloro-6-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine

4-chloro-6-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine (PubChem CID 137409052) has the molecular formula C17H16ClFN4O and a molecular weight of 346.79 g/mol. Its IUPAC name is 4-chloro-6-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine.

Molecular Properties

Compound Name4-chloro-6-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine
PubChem CID137409052
Molecular FormulaC17H16ClFN4O
Molecular Weight346.79 g/mol
Exact Mass346.10
IUPAC Name4-chloro-6-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine
SMILESNc1cc(Cl)c2cc(F)c(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C17H16ClFN4O/c18-12-9-16(20)22-14-8-11(13(19)7-10(12)14)15-4-5-21-23(15)17-3-1-2-6-24-17/h4-5,7-9,17H,1-3,6H2,(H2,20,22)
InChIKeyUCRPDNOTIQNXDZ-UHFFFAOYSA-N
XLogP4.17
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-6-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(4-Fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine
CID 67106036
N-(3-chloro-4-fluorophenyl)-7-(1-methylpyrazol-4-yl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180597
N-(5-fluoro-2-pyridinyl)-4-[1-(oxan-2-yl)indazol-6-yl]pyrimidin-2-amine
CID 141507829
N-(3-fluorophenyl)-4-[1-(oxan-2-yl)indazol-6-yl]pyrimidin-2-amine
CID 141507834
N-(2-fluorophenyl)-4-[1-(oxan-2-yl)indazol-6-yl]pyrimidin-2-amine
CID 141507841
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
13-Chloro-8-(2,6-difluorophenyl)-3-(oxan-2-yl)-3,4,7,9,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,8,11,13-hexaene
CID 163404767
2-N-[(2-chloro-3-fluorophenyl)methyl]-6-[1-(oxan-2-yl)indazol-6-yl]-1,3,5-triazine-2,4-diamine
CID 166163839
2-N-[1-(2-chloro-3-fluorophenyl)cyclopropyl]-6-[1-(oxan-2-yl)indazol-6-yl]-1,3,5-triazine-2,4-diamine
CID 166164002
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine?
The IUPAC name of 4-chloro-6-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine (CID 137409052) is 4-chloro-6-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine.
What is the SMILES notation for 4-chloro-6-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine?
The canonical SMILES for 4-chloro-6-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine is Nc1cc(Cl)c2cc(F)c(-c3ccnn3C3CCCCO3)cc2n1.
What is the InChIKey of 4-chloro-6-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine?
The InChIKey is UCRPDNOTIQNXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4O/c18-12-9-16(20)22-14-8-11(13(19)7-10(12)14)15-4-5-21-23(15)17-3-1-2-6-24-17/h4-5,7-9,17H,1-3,6H2,(H2,20,22).
What are the key properties of 4-chloro-6-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine?
4-chloro-6-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine has a molecular weight of 346.79 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine is sourced from PubChem (CID 137409052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).