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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Related Compounds

7-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine
CID 103703190
CID 10433026
CID 10433026
7-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]quinolin-4-amine
CID 133347532
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493
CID 10409748
CID 10409748
N-butyl-7-chloroquinolin-4-amine
CID 10037042
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-5-methylaniline
CID 54882236
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
CID 44543907
1-[(7-chloroquinolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 133353147
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpyridin-2-amine
CID 106374176
5-bromo-2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline
CID 55132827

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).