2-chloro-4-[3-ethyl-4-[[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]amino]quinolin-6-yl]-6-fluorophenol

C27H27ClFN5O — CID 118658976

IUPAC2-chloro-4-[3-ethyl-4-[[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]amino]quinolin-6-yl]-6-fluorophenol
SMILESCCc1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CCC(NC)C2)nc1
InChIInChI=1S/C27H27ClFN5O/c1-3-16-13-31-24-6-4-17(18-11-22(28)27(35)23(29)12-18)10-21(24)26(16)33-19-5-7-25(32-14-19)34-9-8-20(15-34)30-2/h4-7,10-14,20,30,35H,3,8-9,15H2,1-2H3,(H,31,33)
InChIKeyOILHWVLPXNNTGE-UHFFFAOYSA-N
MW492.00 g/mol
LogP5.90
Rot. Bonds6

About 2-chloro-4-[3-ethyl-4-[[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]amino]quinolin-6-yl]-6-fluorophenol

2-chloro-4-[3-ethyl-4-[[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]amino]quinolin-6-yl]-6-fluorophenol (PubChem CID 118658976) has the molecular formula C27H27ClFN5O and a molecular weight of 492.00 g/mol. Its IUPAC name is 2-chloro-4-[3-ethyl-4-[[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]amino]quinolin-6-yl]-6-fluorophenol.

Molecular Properties

Compound Name2-chloro-4-[3-ethyl-4-[[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]amino]quinolin-6-yl]-6-fluorophenol
PubChem CID118658976
Molecular FormulaC27H27ClFN5O
Molecular Weight492.00 g/mol
Exact Mass491.19
IUPAC Name2-chloro-4-[3-ethyl-4-[[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]amino]quinolin-6-yl]-6-fluorophenol
SMILESCCc1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CCC(NC)C2)nc1
InChIInChI=1S/C27H27ClFN5O/c1-3-16-13-31-24-6-4-17(18-11-22(28)27(35)23(29)12-18)10-21(24)26(16)33-19-5-7-25(32-14-19)34-9-8-20(15-34)30-2/h4-7,10-14,20,30,35H,3,8-9,15H2,1-2H3,(H,31,33)
InChIKeyOILHWVLPXNNTGE-UHFFFAOYSA-N
XLogP5.90
TPSA73.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.00
LogP ≤ 55.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-chloro-4-[3-ethyl-4-[[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]amino]quinolin-6-yl]-6-fluorophenol 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 2-chloro-4-[3-ethyl-4-[[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]amino]quinolin-6-yl]-6-fluorophenol?
The IUPAC name of 2-chloro-4-[3-ethyl-4-[[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]amino]quinolin-6-yl]-6-fluorophenol (CID 118658976) is 2-chloro-4-[3-ethyl-4-[[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]amino]quinolin-6-yl]-6-fluorophenol.
What is the SMILES notation for 2-chloro-4-[3-ethyl-4-[[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]amino]quinolin-6-yl]-6-fluorophenol?
The canonical SMILES for 2-chloro-4-[3-ethyl-4-[[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]amino]quinolin-6-yl]-6-fluorophenol is CCc1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CCC(NC)C2)nc1.
What is the InChIKey of 2-chloro-4-[3-ethyl-4-[[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]amino]quinolin-6-yl]-6-fluorophenol?
The InChIKey is OILHWVLPXNNTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClFN5O/c1-3-16-13-31-24-6-4-17(18-11-22(28)27(35)23(29)12-18)10-21(24)26(16)33-19-5-7-25(32-14-19)34-9-8-20(15-34)30-2/h4-7,10-14,20,30,35H,3,8-9,15H2,1-2H3,(H,31,33).
What are the key properties of 2-chloro-4-[3-ethyl-4-[[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]amino]quinolin-6-yl]-6-fluorophenol?
2-chloro-4-[3-ethyl-4-[[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]amino]quinolin-6-yl]-6-fluorophenol has a molecular weight of 492.00 g/mol, XLogP of 5.90, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-ethyl-4-[[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]amino]quinolin-6-yl]-6-fluorophenol is sourced from PubChem (CID 118658976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).