chlorobenzene;4-fluoro-2-[4-(pyrrolidin-3-ylamino)quinazolin-2-yl]phenol

C24H22ClFN4O — CID 143796164

IUPACchlorobenzene;4-fluoro-2-[4-(pyrrolidin-3-ylamino)quinazolin-2-yl]phenol
SMILESClc1ccccc1.Oc1ccc(F)cc1-c1nc(NC2CCNC2)c2ccccc2n1
InChIInChI=1S/C18H17FN4O.C6H5Cl/c19-11-5-6-16(24)14(9-11)18-22-15-4-2-1-3-13(15)17(23-18)21-12-7-8-20-10-12;7-6-4-2-1-3-5-6/h1-6,9,12,20,24H,7-8,10H2,(H,21,22,23);1-5H
InChIKeyOTLMRSNGPJYION-UHFFFAOYSA-N
MW436.92 g/mol
LogP5.26
Rot. Bonds3

About chlorobenzene;4-fluoro-2-[4-(pyrrolidin-3-ylamino)quinazolin-2-yl]phenol

chlorobenzene;4-fluoro-2-[4-(pyrrolidin-3-ylamino)quinazolin-2-yl]phenol (PubChem CID 143796164) has the molecular formula C24H22ClFN4O and a molecular weight of 436.92 g/mol. Its IUPAC name is chlorobenzene;4-fluoro-2-[4-(pyrrolidin-3-ylamino)quinazolin-2-yl]phenol.

Molecular Properties

Compound Namechlorobenzene;4-fluoro-2-[4-(pyrrolidin-3-ylamino)quinazolin-2-yl]phenol
PubChem CID143796164
Molecular FormulaC24H22ClFN4O
Molecular Weight436.92 g/mol
Exact Mass436.15
IUPAC Namechlorobenzene;4-fluoro-2-[4-(pyrrolidin-3-ylamino)quinazolin-2-yl]phenol
SMILESClc1ccccc1.Oc1ccc(F)cc1-c1nc(NC2CCNC2)c2ccccc2n1
InChIInChI=1S/C18H17FN4O.C6H5Cl/c19-11-5-6-16(24)14(9-11)18-22-15-4-2-1-3-13(15)17(23-18)21-12-7-8-20-10-12;7-6-4-2-1-3-5-6/h1-6,9,12,20,24H,7-8,10H2,(H,21,22,23);1-5H
InChIKeyOTLMRSNGPJYION-UHFFFAOYSA-N
XLogP5.26
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.92
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze chlorobenzene;4-fluoro-2-[4-(pyrrolidin-3-ylamino)quinazolin-2-yl]phenol 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 chlorobenzene;4-fluoro-2-[4-(pyrrolidin-3-ylamino)quinazolin-2-yl]phenol?
The IUPAC name of chlorobenzene;4-fluoro-2-[4-(pyrrolidin-3-ylamino)quinazolin-2-yl]phenol (CID 143796164) is chlorobenzene;4-fluoro-2-[4-(pyrrolidin-3-ylamino)quinazolin-2-yl]phenol.
What is the SMILES notation for chlorobenzene;4-fluoro-2-[4-(pyrrolidin-3-ylamino)quinazolin-2-yl]phenol?
The canonical SMILES for chlorobenzene;4-fluoro-2-[4-(pyrrolidin-3-ylamino)quinazolin-2-yl]phenol is Clc1ccccc1.Oc1ccc(F)cc1-c1nc(NC2CCNC2)c2ccccc2n1.
What is the InChIKey of chlorobenzene;4-fluoro-2-[4-(pyrrolidin-3-ylamino)quinazolin-2-yl]phenol?
The InChIKey is OTLMRSNGPJYION-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O.C6H5Cl/c19-11-5-6-16(24)14(9-11)18-22-15-4-2-1-3-13(15)17(23-18)21-12-7-8-20-10-12;7-6-4-2-1-3-5-6/h1-6,9,12,20,24H,7-8,10H2,(H,21,22,23);1-5H.
What are the key properties of chlorobenzene;4-fluoro-2-[4-(pyrrolidin-3-ylamino)quinazolin-2-yl]phenol?
chlorobenzene;4-fluoro-2-[4-(pyrrolidin-3-ylamino)quinazolin-2-yl]phenol has a molecular weight of 436.92 g/mol, XLogP of 5.26, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;4-fluoro-2-[4-(pyrrolidin-3-ylamino)quinazolin-2-yl]phenol is sourced from PubChem (CID 143796164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).