quinolin-4-ylmethyl 1H-pyrrole-3-carboxylate

C15H12N2O2 — CID 127262545

IUPACquinolin-4-ylmethyl 1H-pyrrole-3-carboxylate
SMILESO=C(OCc1ccnc2ccccc12)c1cc[nH]c1
InChIInChI=1S/C15H12N2O2/c18-15(11-5-7-16-9-11)19-10-12-6-8-17-14-4-2-1-3-13(12)14/h1-9,16H,10H2
InChIKeyKARNPOWHMXVNQP-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.92
Rot. Bonds3

About quinolin-4-ylmethyl 1H-pyrrole-3-carboxylate

quinolin-4-ylmethyl 1H-pyrrole-3-carboxylate (PubChem CID 127262545) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is quinolin-4-ylmethyl 1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namequinolin-4-ylmethyl 1H-pyrrole-3-carboxylate
PubChem CID127262545
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Namequinolin-4-ylmethyl 1H-pyrrole-3-carboxylate
SMILESO=C(OCc1ccnc2ccccc12)c1cc[nH]c1
InChIInChI=1S/C15H12N2O2/c18-15(11-5-7-16-9-11)19-10-12-6-8-17-14-4-2-1-3-13(12)14/h1-9,16H,10H2
InChIKeyKARNPOWHMXVNQP-UHFFFAOYSA-N
XLogP2.92
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

quinolin-4-ylmethyl hydrogen carbonate
CID 154246402
quinolin-4-ylmethyl 5-aminopyridine-2-carboxylate
CID 81312647
quinolin-4-ylmethyl 3-aminothiophene-2-carboxylate
CID 79240203
N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide
CID 156586814
1-quinolin-4-ylbutan-2-one
CID 15695851
2-(2-quinolin-4-ylethyl)benzohydrazide
CID 70948892
3-chloro-2-(quinolin-4-ylmethoxy)aniline
CID 107716069
3-quinolin-4-ylpropan-1-ol
CID 21218471
1-[2-(aminomethyl)-4-pyridinyl]-2-quinolin-4-ylethanone
CID 116601824
3-methoxy-3-oxo-2-(quinolin-4-ylmethyl)propanoic acid
CID 103973243
1-(4-iodophenyl)-2-quinolin-4-ylethanone
CID 114979738
4-methoxy-N-(quinolin-4-ylmethyl)benzamide
CID 110734220

Frequently Asked Questions

What is the IUPAC name of quinolin-4-ylmethyl 1H-pyrrole-3-carboxylate?
The IUPAC name of quinolin-4-ylmethyl 1H-pyrrole-3-carboxylate (CID 127262545) is quinolin-4-ylmethyl 1H-pyrrole-3-carboxylate.
What is the SMILES notation for quinolin-4-ylmethyl 1H-pyrrole-3-carboxylate?
The canonical SMILES for quinolin-4-ylmethyl 1H-pyrrole-3-carboxylate is O=C(OCc1ccnc2ccccc12)c1cc[nH]c1.
What is the InChIKey of quinolin-4-ylmethyl 1H-pyrrole-3-carboxylate?
The InChIKey is KARNPOWHMXVNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-15(11-5-7-16-9-11)19-10-12-6-8-17-14-4-2-1-3-13(12)14/h1-9,16H,10H2.
What are the key properties of quinolin-4-ylmethyl 1H-pyrrole-3-carboxylate?
quinolin-4-ylmethyl 1H-pyrrole-3-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-4-ylmethyl 1H-pyrrole-3-carboxylate is sourced from PubChem (CID 127262545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).