ethyl 4-amino-2-cyclopropylquinoline-3-carboxylate

C15H16N2O2 — CID 174944761

IUPACethyl 4-amino-2-cyclopropylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)nc2ccccc2c1N
InChIInChI=1S/C15H16N2O2/c1-2-19-15(18)12-13(16)10-5-3-4-6-11(10)17-14(12)9-7-8-9/h3-6,9H,2,7-8H2,1H3,(H2,16,17)
InChIKeyJNIWVPYRJNZLPM-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.87
Rot. Bonds3

About ethyl 4-amino-2-cyclopropylquinoline-3-carboxylate

ethyl 4-amino-2-cyclopropylquinoline-3-carboxylate (PubChem CID 174944761) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is ethyl 4-amino-2-cyclopropylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-cyclopropylquinoline-3-carboxylate
PubChem CID174944761
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Nameethyl 4-amino-2-cyclopropylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)nc2ccccc2c1N
InChIInChI=1S/C15H16N2O2/c1-2-19-15(18)12-13(16)10-5-3-4-6-11(10)17-14(12)9-7-8-9/h3-6,9H,2,7-8H2,1H3,(H2,16,17)
InChIKeyJNIWVPYRJNZLPM-UHFFFAOYSA-N
XLogP2.87
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-cyclopropylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-amino-2-cyclopropylquinoline-3-carboxylate (CID 174944761) is ethyl 4-amino-2-cyclopropylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-cyclopropylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-amino-2-cyclopropylquinoline-3-carboxylate is CCOC(=O)c1c(C2CC2)nc2ccccc2c1N.
What is the InChIKey of ethyl 4-amino-2-cyclopropylquinoline-3-carboxylate?
The InChIKey is JNIWVPYRJNZLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-19-15(18)12-13(16)10-5-3-4-6-11(10)17-14(12)9-7-8-9/h3-6,9H,2,7-8H2,1H3,(H2,16,17).
What are the key properties of ethyl 4-amino-2-cyclopropylquinoline-3-carboxylate?
ethyl 4-amino-2-cyclopropylquinoline-3-carboxylate has a molecular weight of 256.30 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-cyclopropylquinoline-3-carboxylate is sourced from PubChem (CID 174944761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).