tert-butyl (2R)-2-[2-chloro-4-(2-methylphenyl)quinolin-7-yl]oxypropanoate

C23H24ClNO3 — CID 155141285

IUPACtert-butyl (2R)-2-[2-chloro-4-(2-methylphenyl)quinolin-7-yl]oxypropanoate
SMILESCc1ccccc1-c1cc(Cl)nc2cc(O[C@H](C)C(=O)OC(C)(C)C)ccc12
InChIInChI=1S/C23H24ClNO3/c1-14-8-6-7-9-17(14)19-13-21(24)25-20-12-16(10-11-18(19)20)27-15(2)22(26)28-23(3,4)5/h6-13,15H,1-5H3/t15-/m1/s1
InChIKeyDUQFZKPMTOGHDY-OAHLLOKOSA-N
MW397.90 g/mol
LogP5.97
Rot. Bonds4

About tert-butyl (2R)-2-[2-chloro-4-(2-methylphenyl)quinolin-7-yl]oxypropanoate

tert-butyl (2R)-2-[2-chloro-4-(2-methylphenyl)quinolin-7-yl]oxypropanoate (PubChem CID 155141285) has the molecular formula C23H24ClNO3 and a molecular weight of 397.90 g/mol. Its IUPAC name is tert-butyl (2R)-2-[2-chloro-4-(2-methylphenyl)quinolin-7-yl]oxypropanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[2-chloro-4-(2-methylphenyl)quinolin-7-yl]oxypropanoate
PubChem CID155141285
Molecular FormulaC23H24ClNO3
Molecular Weight397.90 g/mol
Exact Mass397.14
IUPAC Nametert-butyl (2R)-2-[2-chloro-4-(2-methylphenyl)quinolin-7-yl]oxypropanoate
SMILESCc1ccccc1-c1cc(Cl)nc2cc(O[C@H](C)C(=O)OC(C)(C)C)ccc12
InChIInChI=1S/C23H24ClNO3/c1-14-8-6-7-9-17(14)19-13-21(24)25-20-12-16(10-11-18(19)20)27-15(2)22(26)28-23(3,4)5/h6-13,15H,1-5H3/t15-/m1/s1
InChIKeyDUQFZKPMTOGHDY-OAHLLOKOSA-N
XLogP5.97
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.90
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[2-chloro-4-(2-methylphenyl)quinolin-7-yl]oxypropanoate?
The IUPAC name of tert-butyl (2R)-2-[2-chloro-4-(2-methylphenyl)quinolin-7-yl]oxypropanoate (CID 155141285) is tert-butyl (2R)-2-[2-chloro-4-(2-methylphenyl)quinolin-7-yl]oxypropanoate.
What is the SMILES notation for tert-butyl (2R)-2-[2-chloro-4-(2-methylphenyl)quinolin-7-yl]oxypropanoate?
The canonical SMILES for tert-butyl (2R)-2-[2-chloro-4-(2-methylphenyl)quinolin-7-yl]oxypropanoate is Cc1ccccc1-c1cc(Cl)nc2cc(O[C@H](C)C(=O)OC(C)(C)C)ccc12.
What is the InChIKey of tert-butyl (2R)-2-[2-chloro-4-(2-methylphenyl)quinolin-7-yl]oxypropanoate?
The InChIKey is DUQFZKPMTOGHDY-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H24ClNO3/c1-14-8-6-7-9-17(14)19-13-21(24)25-20-12-16(10-11-18(19)20)27-15(2)22(26)28-23(3,4)5/h6-13,15H,1-5H3/t15-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[2-chloro-4-(2-methylphenyl)quinolin-7-yl]oxypropanoate?
tert-butyl (2R)-2-[2-chloro-4-(2-methylphenyl)quinolin-7-yl]oxypropanoate has a molecular weight of 397.90 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[2-chloro-4-(2-methylphenyl)quinolin-7-yl]oxypropanoate is sourced from PubChem (CID 155141285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).