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

C15H14ClN3O — CID 106374323

IUPAC7-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine
SMILESCc1nc(CNc2ccnc3cc(Cl)ccc23)oc1C
InChIInChI=1S/C15H14ClN3O/c1-9-10(2)20-15(19-9)8-18-13-5-6-17-14-7-11(16)3-4-12(13)14/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyBGXOATUBIHFAAZ-UHFFFAOYSA-N
MW287.75 g/mol
LogP4.11
Rot. Bonds3

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

7-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine (PubChem CID 106374323) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 7-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine
PubChem CID106374323
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name7-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine
SMILESCc1nc(CNc2ccnc3cc(Cl)ccc23)oc1C
InChIInChI=1S/C15H14ClN3O/c1-9-10(2)20-15(19-9)8-18-13-5-6-17-14-7-11(16)3-4-12(13)14/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyBGXOATUBIHFAAZ-UHFFFAOYSA-N
XLogP4.11
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine (CID 106374323) is 7-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine is Cc1nc(CNc2ccnc3cc(Cl)ccc23)oc1C.
What is the InChIKey of 7-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine?
The InChIKey is BGXOATUBIHFAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-9-10(2)20-15(19-9)8-18-13-5-6-17-14-7-11(16)3-4-12(13)14/h3-7H,8H2,1-2H3,(H,17,18).
What are the key properties of 7-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine?
7-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine has a molecular weight of 287.75 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine is sourced from PubChem (CID 106374323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).