1H-indol-3-yl quinoline-4-carboxylate

C18H12N2O2 — CID 154449060

IUPAC1H-indol-3-yl quinoline-4-carboxylate
SMILESO=C(Oc1c[nH]c2ccccc12)c1ccnc2ccccc12
InChIInChI=1S/C18H12N2O2/c21-18(13-9-10-19-15-7-3-1-5-12(13)15)22-17-11-20-16-8-4-2-6-14(16)17/h1-11,20H
InChIKeyRLNALCKQOCQRQV-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.94
Rot. Bonds2

About 1H-indol-3-yl quinoline-4-carboxylate

1H-indol-3-yl quinoline-4-carboxylate (PubChem CID 154449060) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1H-indol-3-yl quinoline-4-carboxylate.

Molecular Properties

Compound Name1H-indol-3-yl quinoline-4-carboxylate
PubChem CID154449060
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name1H-indol-3-yl quinoline-4-carboxylate
SMILESO=C(Oc1c[nH]c2ccccc12)c1ccnc2ccccc12
InChIInChI=1S/C18H12N2O2/c21-18(13-9-10-19-15-7-3-1-5-12(13)15)22-17-11-20-16-8-4-2-6-14(16)17/h1-11,20H
InChIKeyRLNALCKQOCQRQV-UHFFFAOYSA-N
XLogP3.94
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl quinoline-4-carboxylate?
The IUPAC name of 1H-indol-3-yl quinoline-4-carboxylate (CID 154449060) is 1H-indol-3-yl quinoline-4-carboxylate.
What is the SMILES notation for 1H-indol-3-yl quinoline-4-carboxylate?
The canonical SMILES for 1H-indol-3-yl quinoline-4-carboxylate is O=C(Oc1c[nH]c2ccccc12)c1ccnc2ccccc12.
What is the InChIKey of 1H-indol-3-yl quinoline-4-carboxylate?
The InChIKey is RLNALCKQOCQRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c21-18(13-9-10-19-15-7-3-1-5-12(13)15)22-17-11-20-16-8-4-2-6-14(16)17/h1-11,20H.
What are the key properties of 1H-indol-3-yl quinoline-4-carboxylate?
1H-indol-3-yl quinoline-4-carboxylate has a molecular weight of 288.31 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl quinoline-4-carboxylate is sourced from PubChem (CID 154449060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).