ethane;ethyl 4-amino-5,7-dichloroquinoline-2-carboxylate

C14H16Cl2N2O2 — CID 143442535

IUPACethane;ethyl 4-amino-5,7-dichloroquinoline-2-carboxylate
SMILESCC.CCOC(=O)c1cc(N)c2c(Cl)cc(Cl)cc2n1
InChIInChI=1S/C12H10Cl2N2O2.C2H6/c1-2-18-12(17)10-5-8(15)11-7(14)3-6(13)4-9(11)16-10;1-2/h3-5H,2H2,1H3,(H2,15,16);1-2H3
InChIKeyDXSIGFQRVITCNS-UHFFFAOYSA-N
MW315.20 g/mol
LogP4.33
Rot. Bonds2

About ethane;ethyl 4-amino-5,7-dichloroquinoline-2-carboxylate

ethane;ethyl 4-amino-5,7-dichloroquinoline-2-carboxylate (PubChem CID 143442535) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is ethane;ethyl 4-amino-5,7-dichloroquinoline-2-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 4-amino-5,7-dichloroquinoline-2-carboxylate
PubChem CID143442535
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Nameethane;ethyl 4-amino-5,7-dichloroquinoline-2-carboxylate
SMILESCC.CCOC(=O)c1cc(N)c2c(Cl)cc(Cl)cc2n1
InChIInChI=1S/C12H10Cl2N2O2.C2H6/c1-2-18-12(17)10-5-8(15)11-7(14)3-6(13)4-9(11)16-10;1-2/h3-5H,2H2,1H3,(H2,15,16);1-2H3
InChIKeyDXSIGFQRVITCNS-UHFFFAOYSA-N
XLogP4.33
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 5,7-dichloroquinoline-2,4-dicarboxylate
CID 19747565
ethyl 5,7-dichloro-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylamino)quinoline-2-carboxylate
CID 171976518
ethane;ethyl 4-chloro-6-phenylpyridine-2-carboxylate
CID 143874733
prop-2-enyl 5,7-dichloro-4-(methylamino)quinoline-2-carboxylate
CID 67733952
ethyl 4-chloro-6-(chloromethyl)pyridine-2-carboxylate
CID 122609392
ethyl 2,4,6-trichlorobenzoate
CID 91733956
ethyl 5,7-dichloro-4-[4-[(5R)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-yl]quinoline-2-carboxylate
CID 7005308
2-(diethylamino)ethyl 5,7-dichloro-4-phenylmethoxyquinoline-2-carboxylate
CID 19735189
diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride
CID 137333254
ethyl 2-chloro-6-methylpyrimidine-4-carboxylate
CID 2736385
ethyl 2-amino-3,5-dichlorobenzoate
CID 15087809
ethyl 6-chloro-4-phenylquinoline-2-carboxylate
CID 53355070

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 4-amino-5,7-dichloroquinoline-2-carboxylate?
The IUPAC name of ethane;ethyl 4-amino-5,7-dichloroquinoline-2-carboxylate (CID 143442535) is ethane;ethyl 4-amino-5,7-dichloroquinoline-2-carboxylate.
What is the SMILES notation for ethane;ethyl 4-amino-5,7-dichloroquinoline-2-carboxylate?
The canonical SMILES for ethane;ethyl 4-amino-5,7-dichloroquinoline-2-carboxylate is CC.CCOC(=O)c1cc(N)c2c(Cl)cc(Cl)cc2n1.
What is the InChIKey of ethane;ethyl 4-amino-5,7-dichloroquinoline-2-carboxylate?
The InChIKey is DXSIGFQRVITCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2.C2H6/c1-2-18-12(17)10-5-8(15)11-7(14)3-6(13)4-9(11)16-10;1-2/h3-5H,2H2,1H3,(H2,15,16);1-2H3.
What are the key properties of ethane;ethyl 4-amino-5,7-dichloroquinoline-2-carboxylate?
ethane;ethyl 4-amino-5,7-dichloroquinoline-2-carboxylate has a molecular weight of 315.20 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 4-amino-5,7-dichloroquinoline-2-carboxylate is sourced from PubChem (CID 143442535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).