ethyl 6-chloro-4-propan-2-ylquinoline-3-carboxylate

C15H16ClNO2 — CID 169258410

IUPACethyl 6-chloro-4-propan-2-ylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(Cl)cc2c1C(C)C
InChIInChI=1S/C15H16ClNO2/c1-4-19-15(18)12-8-17-13-6-5-10(16)7-11(13)14(12)9(2)3/h5-9H,4H2,1-3H3
InChIKeyXSQIANZYPHAIHN-UHFFFAOYSA-N
MW277.75 g/mol
LogP4.19
Rot. Bonds3

About ethyl 6-chloro-4-propan-2-ylquinoline-3-carboxylate

ethyl 6-chloro-4-propan-2-ylquinoline-3-carboxylate (PubChem CID 169258410) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is ethyl 6-chloro-4-propan-2-ylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-4-propan-2-ylquinoline-3-carboxylate
PubChem CID169258410
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Nameethyl 6-chloro-4-propan-2-ylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(Cl)cc2c1C(C)C
InChIInChI=1S/C15H16ClNO2/c1-4-19-15(18)12-8-17-13-6-5-10(16)7-11(13)14(12)9(2)3/h5-9H,4H2,1-3H3
InChIKeyXSQIANZYPHAIHN-UHFFFAOYSA-N
XLogP4.19
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-amino-7-chloroquinoline-3-carboxylate
CID 609428
ethyl 6-chloro-3-fluoroquinoline-4-carboxylate
CID 164533136
ethyl 6-chloro-4-(2-phenylhydrazinyl)quinoline-3-carboxylate
CID 17016638
ethyl 4-(4-aminoanilino)-6-chloroquinoline-3-carboxylate
CID 66715427
6-chloro-4-propan-2-ylquinolin-3-amine
CID 105476883
ethyl 4-chloro-7-hydroxyquinoline-3-carboxylate
CID 135735505
ethyl 4-(5-acetamido-2-chloroanilino)-6-chloroquinoline-3-carboxylate
CID 17016659
ethyl 4-chloro-6-propylquinoline-3-carboxylate
CID 30058351
ethyl 4-chloro-6-(dimethylamino)quinoline-3-carboxylate
CID 43617132
1-(6-chloro-4-methylquinolin-3-yl)ethanone
CID 175943366
diethyl 4-aminoquinoline-3,6-dicarboxylate
CID 17028175
ethyl 4-amino-6-[(4-chlorobenzoyl)amino]quinoline-3-carboxylate
CID 39851604

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-4-propan-2-ylquinoline-3-carboxylate?
The IUPAC name of ethyl 6-chloro-4-propan-2-ylquinoline-3-carboxylate (CID 169258410) is ethyl 6-chloro-4-propan-2-ylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-4-propan-2-ylquinoline-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-4-propan-2-ylquinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(Cl)cc2c1C(C)C.
What is the InChIKey of ethyl 6-chloro-4-propan-2-ylquinoline-3-carboxylate?
The InChIKey is XSQIANZYPHAIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-4-19-15(18)12-8-17-13-6-5-10(16)7-11(13)14(12)9(2)3/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 6-chloro-4-propan-2-ylquinoline-3-carboxylate?
ethyl 6-chloro-4-propan-2-ylquinoline-3-carboxylate has a molecular weight of 277.75 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-4-propan-2-ylquinoline-3-carboxylate is sourced from PubChem (CID 169258410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).