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

C17H18ClN3O — CID 133347532

IUPAC7-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]quinolin-4-amine
SMILESCc1noc(C)c1CCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C17H18ClN3O/c1-11-14(12(2)22-21-11)4-3-8-19-16-7-9-20-17-10-13(18)5-6-15(16)17/h5-7,9-10H,3-4,8H2,1-2H3,(H,19,20)
InChIKeyNOQGWFGKXHLXFJ-UHFFFAOYSA-N
MW315.80 g/mol
LogP4.54
Rot. Bonds5

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

7-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]quinolin-4-amine (PubChem CID 133347532) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is 7-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]quinolin-4-amine
PubChem CID133347532
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name7-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]quinolin-4-amine
SMILESCc1noc(C)c1CCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C17H18ClN3O/c1-11-14(12(2)22-21-11)4-3-8-19-16-7-9-20-17-10-13(18)5-6-15(16)17/h5-7,9-10H,3-4,8H2,1-2H3,(H,19,20)
InChIKeyNOQGWFGKXHLXFJ-UHFFFAOYSA-N
XLogP4.54
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]quinolin-4-amine with MolForge

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Related Compounds

N-butyl-7-chloroquinolin-4-amine
CID 10037042
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
5-chloro-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]benzonitrile
CID 133347600
4-chloro-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]benzonitrile
CID 133347580
CID 70870191
CID 70870191
4-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-8-fluoroquinolin-7-amine
CID 133347573
6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride
CID 21424794
N-(7-chloroquinolin-4-yl)-N',N'-bis[3-[(7-chloroquinolin-4-yl)amino]propyl]butane-1,4-diamine
CID 130467293
N'-[3-[(1Z)-3-chlorobuta-1,3-dienyl]-2-methyl-4-pyridinyl]-N-(7-chloroquinolin-4-yl)nonane-1,9-diamine
CID 130474249
2-[3-[(7-chloroquinolin-4-yl)amino]propylamino]ethanethiol
CID 14522863
7-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine
CID 106374323
7-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine
CID 103703190

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]quinolin-4-amine (CID 133347532) is 7-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]quinolin-4-amine is Cc1noc(C)c1CCCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]quinolin-4-amine?
The InChIKey is NOQGWFGKXHLXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c1-11-14(12(2)22-21-11)4-3-8-19-16-7-9-20-17-10-13(18)5-6-15(16)17/h5-7,9-10H,3-4,8H2,1-2H3,(H,19,20).
What are the key properties of 7-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]quinolin-4-amine?
7-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]quinolin-4-amine has a molecular weight of 315.80 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]quinolin-4-amine is sourced from PubChem (CID 133347532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).