4-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-8-fluoroquinolin-7-amine

C17H17ClFN3O — CID 133347573

IUPAC4-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-8-fluoroquinolin-7-amine
SMILESCc1noc(C)c1CCCNc1ccc2c(Cl)ccnc2c1F
InChIInChI=1S/C17H17ClFN3O/c1-10-12(11(2)23-22-10)4-3-8-20-15-6-5-13-14(18)7-9-21-17(13)16(15)19/h5-7,9,20H,3-4,8H2,1-2H3
InChIKeyJXAGWTDSCXDULP-UHFFFAOYSA-N
MW333.79 g/mol
LogP4.68
Rot. Bonds5

About 4-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-8-fluoroquinolin-7-amine

4-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-8-fluoroquinolin-7-amine (PubChem CID 133347573) has the molecular formula C17H17ClFN3O and a molecular weight of 333.79 g/mol. Its IUPAC name is 4-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-8-fluoroquinolin-7-amine.

Molecular Properties

Compound Name4-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-8-fluoroquinolin-7-amine
PubChem CID133347573
Molecular FormulaC17H17ClFN3O
Molecular Weight333.79 g/mol
Exact Mass333.10
IUPAC Name4-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-8-fluoroquinolin-7-amine
SMILESCc1noc(C)c1CCCNc1ccc2c(Cl)ccnc2c1F
InChIInChI=1S/C17H17ClFN3O/c1-10-12(11(2)23-22-10)4-3-8-20-15-6-5-13-14(18)7-9-21-17(13)16(15)19/h5-7,9,20H,3-4,8H2,1-2H3
InChIKeyJXAGWTDSCXDULP-UHFFFAOYSA-N
XLogP4.68
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]quinolin-4-amine
CID 133347532
5-chloro-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]benzonitrile
CID 133347600
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
CID 133347534
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133347428
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-fluoro-2-(trifluoromethylsulfonyl)aniline
CID 133347454
N-[2-[(4-chloro-8-fluoroquinolin-7-yl)amino]ethyl]cyclopropanecarboxamide
CID 133305761
4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-8-fluoroquinolin-7-amine
CID 133297743
4-chloro-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]benzonitrile
CID 133347580
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropan-1-amine
CID 23006357
4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-3-nitrobenzenesulfonamide
CID 133347499
2-bromo-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-nitroaniline
CID 133347618
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 133347637

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-8-fluoroquinolin-7-amine?
The IUPAC name of 4-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-8-fluoroquinolin-7-amine (CID 133347573) is 4-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-8-fluoroquinolin-7-amine.
What is the SMILES notation for 4-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-8-fluoroquinolin-7-amine?
The canonical SMILES for 4-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-8-fluoroquinolin-7-amine is Cc1noc(C)c1CCCNc1ccc2c(Cl)ccnc2c1F.
What is the InChIKey of 4-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-8-fluoroquinolin-7-amine?
The InChIKey is JXAGWTDSCXDULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O/c1-10-12(11(2)23-22-10)4-3-8-20-15-6-5-13-14(18)7-9-21-17(13)16(15)19/h5-7,9,20H,3-4,8H2,1-2H3.
What are the key properties of 4-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-8-fluoroquinolin-7-amine?
4-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-8-fluoroquinolin-7-amine has a molecular weight of 333.79 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-8-fluoroquinolin-7-amine is sourced from PubChem (CID 133347573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).