1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(furan-2-yl)quinolin-3-yl]propan-2-one

C23H16ClN5O2 — CID 158813401

IUPAC1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(furan-2-yl)quinolin-3-yl]propan-2-one
SMILESO=C(Cc1cnc(-n2nccn2)c(Cl)c1)Cc1cnc2ccccc2c1-c1ccco1
InChIInChI=1S/C23H16ClN5O2/c24-19-11-15(13-26-23(19)29-27-7-8-28-29)10-17(30)12-16-14-25-20-5-2-1-4-18(20)22(16)21-6-3-9-31-21/h1-9,11,13-14H,10,12H2
InChIKeyIUYSWCSJMNOEMM-UHFFFAOYSA-N
MW429.87 g/mol
LogP4.48
Rot. Bonds6

About 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(furan-2-yl)quinolin-3-yl]propan-2-one

1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(furan-2-yl)quinolin-3-yl]propan-2-one (PubChem CID 158813401) has the molecular formula C23H16ClN5O2 and a molecular weight of 429.87 g/mol. Its IUPAC name is 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(furan-2-yl)quinolin-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(furan-2-yl)quinolin-3-yl]propan-2-one
PubChem CID158813401
Molecular FormulaC23H16ClN5O2
Molecular Weight429.87 g/mol
Exact Mass429.10
IUPAC Name1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(furan-2-yl)quinolin-3-yl]propan-2-one
SMILESO=C(Cc1cnc(-n2nccn2)c(Cl)c1)Cc1cnc2ccccc2c1-c1ccco1
InChIInChI=1S/C23H16ClN5O2/c24-19-11-15(13-26-23(19)29-27-7-8-28-29)10-17(30)12-16-14-25-20-5-2-1-4-18(20)22(16)21-6-3-9-31-21/h1-9,11,13-14H,10,12H2
InChIKeyIUYSWCSJMNOEMM-UHFFFAOYSA-N
XLogP4.48
TPSA86.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.87
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(furan-2-yl)quinolin-3-yl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(furan-2-yl)quinolin-3-yl]propan-2-one?
The IUPAC name of 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(furan-2-yl)quinolin-3-yl]propan-2-one (CID 158813401) is 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(furan-2-yl)quinolin-3-yl]propan-2-one.
What is the SMILES notation for 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(furan-2-yl)quinolin-3-yl]propan-2-one?
The canonical SMILES for 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(furan-2-yl)quinolin-3-yl]propan-2-one is O=C(Cc1cnc(-n2nccn2)c(Cl)c1)Cc1cnc2ccccc2c1-c1ccco1.
What is the InChIKey of 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(furan-2-yl)quinolin-3-yl]propan-2-one?
The InChIKey is IUYSWCSJMNOEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN5O2/c24-19-11-15(13-26-23(19)29-27-7-8-28-29)10-17(30)12-16-14-25-20-5-2-1-4-18(20)22(16)21-6-3-9-31-21/h1-9,11,13-14H,10,12H2.
What are the key properties of 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(furan-2-yl)quinolin-3-yl]propan-2-one?
1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(furan-2-yl)quinolin-3-yl]propan-2-one has a molecular weight of 429.87 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(furan-2-yl)quinolin-3-yl]propan-2-one is sourced from PubChem (CID 158813401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).