ethyl 7-bromo-4-(dimethylamino)quinoline-3-carboxylate

C14H15BrN2O2 — CID 50877246

IUPACethyl 7-bromo-4-(dimethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(Br)ccc2c1N(C)C
InChIInChI=1S/C14H15BrN2O2/c1-4-19-14(18)11-8-16-12-7-9(15)5-6-10(12)13(11)17(2)3/h5-8H,4H2,1-3H3
InChIKeyJNZXUAHPYZQRGE-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.24
Rot. Bonds3

About ethyl 7-bromo-4-(dimethylamino)quinoline-3-carboxylate

ethyl 7-bromo-4-(dimethylamino)quinoline-3-carboxylate (PubChem CID 50877246) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is ethyl 7-bromo-4-(dimethylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-bromo-4-(dimethylamino)quinoline-3-carboxylate
PubChem CID50877246
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Nameethyl 7-bromo-4-(dimethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(Br)ccc2c1N(C)C
InChIInChI=1S/C14H15BrN2O2/c1-4-19-14(18)11-8-16-12-7-9(15)5-6-10(12)13(11)17(2)3/h5-8H,4H2,1-3H3
InChIKeyJNZXUAHPYZQRGE-UHFFFAOYSA-N
XLogP3.24
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 4-(dimethylamino)quinoline-3,7-dicarboxylate
CID 43839933
ethyl 6-bromo-4-(diethylamino)quinoline-3-carboxylate
CID 46397800
ethyl 7-chloro-4-(dimethylamino)-6-methoxyquinoline-3-carboxylate
CID 54772978
ethyl 4-(dimethylamino)-7-fluoro-8-(2,3,5-trifluorophenyl)quinoline-3-carboxylate
CID 156881974
ethyl 4-(4-acetylanilino)-6-bromoquinoline-3-carboxylate
CID 1189464
ethyl 6-bromo-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate
CID 992369
ethyl 4-chloro-7-hydroxyquinoline-3-carboxylate
CID 135735505
ethyl 4-amino-7-chloroquinoline-3-carboxylate
CID 609428
ethyl 4-chloro-6-(dimethylamino)quinoline-3-carboxylate
CID 43617132
ethyl 4-[cyclopropylmethyl(methyl)amino]quinoline-3-carboxylate
CID 133277761
ethyl 4-[benzyl(methyl)amino]-6-ethoxyquinoline-3-carboxylate
CID 6621000
ethyl 6-bromo-4-[(3-hydroxycyclobutyl)amino]quinoline-3-carboxylate
CID 118503001

Frequently Asked Questions

What is the IUPAC name of ethyl 7-bromo-4-(dimethylamino)quinoline-3-carboxylate?
The IUPAC name of ethyl 7-bromo-4-(dimethylamino)quinoline-3-carboxylate (CID 50877246) is ethyl 7-bromo-4-(dimethylamino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-bromo-4-(dimethylamino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 7-bromo-4-(dimethylamino)quinoline-3-carboxylate is CCOC(=O)c1cnc2cc(Br)ccc2c1N(C)C.
What is the InChIKey of ethyl 7-bromo-4-(dimethylamino)quinoline-3-carboxylate?
The InChIKey is JNZXUAHPYZQRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-4-19-14(18)11-8-16-12-7-9(15)5-6-10(12)13(11)17(2)3/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 7-bromo-4-(dimethylamino)quinoline-3-carboxylate?
ethyl 7-bromo-4-(dimethylamino)quinoline-3-carboxylate has a molecular weight of 323.19 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-bromo-4-(dimethylamino)quinoline-3-carboxylate is sourced from PubChem (CID 50877246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).