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

C20H18ClN3O — CID 53363392

IUPAC7-chloro-N-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]quinolin-4-amine
SMILESCC1(C)COC(c2cccc(Nc3ccnc4cc(Cl)ccc34)c2)=N1
InChIInChI=1S/C20H18ClN3O/c1-20(2)12-25-19(24-20)13-4-3-5-15(10-13)23-17-8-9-22-18-11-14(21)6-7-16(17)18/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyZBOCYNAKBUALOF-UHFFFAOYSA-N
MW351.84 g/mol
LogP5.19
Rot. Bonds3

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

7-chloro-N-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]quinolin-4-amine (PubChem CID 53363392) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is 7-chloro-N-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]quinolin-4-amine
PubChem CID53363392
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC Name7-chloro-N-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]quinolin-4-amine
SMILESCC1(C)COC(c2cccc(Nc3ccnc4cc(Cl)ccc34)c2)=N1
InChIInChI=1S/C20H18ClN3O/c1-20(2)12-25-19(24-20)13-4-3-5-15(10-13)23-17-8-9-22-18-11-14(21)6-7-16(17)18/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyZBOCYNAKBUALOF-UHFFFAOYSA-N
XLogP5.19
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.84
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(7-chloroquinolin-4-yl)amino]phenol
CID 15654508
7-chloro-N-(3-methoxyphenyl)quinolin-4-amine
CID 50877151
3-[(7-chloroquinolin-4-yl)amino]phenol;hydrochloride
CID 24884898
7-chloro-N-(2,6-dimethylphenyl)quinolin-4-amine
CID 134151417
N-[3-[(1S)-1-[bis(2-chloroethyl)amino]ethyl]phenyl]-7-chloroquinolin-4-amine
CID 98505185
7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane
CID 153341767
4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid
CID 24757093
5-[(7-chloroquinolin-4-yl)amino]-2-methylphenol;8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 143270906
1-N-(7-chloroquinolin-4-yl)-4-N-[3-methyl-5-(3-methylphenyl)phenyl]cyclohexane-1,4-diamine
CID 10288433
7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride
CID 171931176
7-chloro-N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]quinolin-4-amine
CID 7256421
acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine
CID 144507995

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]quinolin-4-amine (CID 53363392) is 7-chloro-N-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]quinolin-4-amine is CC1(C)COC(c2cccc(Nc3ccnc4cc(Cl)ccc34)c2)=N1.
What is the InChIKey of 7-chloro-N-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]quinolin-4-amine?
The InChIKey is ZBOCYNAKBUALOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-20(2)12-25-19(24-20)13-4-3-5-15(10-13)23-17-8-9-22-18-11-14(21)6-7-16(17)18/h3-11H,12H2,1-2H3,(H,22,23).
What are the key properties of 7-chloro-N-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]quinolin-4-amine?
7-chloro-N-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]quinolin-4-amine has a molecular weight of 351.84 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]quinolin-4-amine is sourced from PubChem (CID 53363392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).