4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-4-piperazin-1-ylquinazolin-7-yl]naphthalen-2-ol

C27H28ClFN6O — CID 131965235

IUPAC4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-4-piperazin-1-ylquinazolin-7-yl]naphthalen-2-ol
SMILESCN(C)C1CN(c2nc(N3CCNCC3)c3cc(Cl)c(-c4cc(O)cc5ccccc45)c(F)c3n2)C1
InChIInChI=1S/C27H28ClFN6O/c1-33(2)17-14-35(15-17)27-31-25-21(26(32-27)34-9-7-30-8-10-34)13-22(28)23(24(25)29)20-12-18(36)11-16-5-3-4-6-19(16)20/h3-6,11-13,17,30,36H,7-10,14-15H2,1-2H3
InChIKeyGYBOWEMHOJATJP-UHFFFAOYSA-N
MW507.01 g/mol
LogP4.11
Rot. Bonds4

About 4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-4-piperazin-1-ylquinazolin-7-yl]naphthalen-2-ol

4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-4-piperazin-1-ylquinazolin-7-yl]naphthalen-2-ol (PubChem CID 131965235) has the molecular formula C27H28ClFN6O and a molecular weight of 507.01 g/mol. Its IUPAC name is 4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-4-piperazin-1-ylquinazolin-7-yl]naphthalen-2-ol.

Molecular Properties

Compound Name4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-4-piperazin-1-ylquinazolin-7-yl]naphthalen-2-ol
PubChem CID131965235
Molecular FormulaC27H28ClFN6O
Molecular Weight507.01 g/mol
Exact Mass506.20
IUPAC Name4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-4-piperazin-1-ylquinazolin-7-yl]naphthalen-2-ol
SMILESCN(C)C1CN(c2nc(N3CCNCC3)c3cc(Cl)c(-c4cc(O)cc5ccccc45)c(F)c3n2)C1
InChIInChI=1S/C27H28ClFN6O/c1-33(2)17-14-35(15-17)27-31-25-21(26(32-27)34-9-7-30-8-10-34)13-22(28)23(24(25)29)20-12-18(36)11-16-5-3-4-6-19(16)20/h3-6,11-13,17,30,36H,7-10,14-15H2,1-2H3
InChIKeyGYBOWEMHOJATJP-UHFFFAOYSA-N
XLogP4.11
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.01
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-4-piperazin-1-ylquinazolin-7-yl]naphthalen-2-ol 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 4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-4-piperazin-1-ylquinazolin-7-yl]naphthalen-2-ol?
The IUPAC name of 4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-4-piperazin-1-ylquinazolin-7-yl]naphthalen-2-ol (CID 131965235) is 4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-4-piperazin-1-ylquinazolin-7-yl]naphthalen-2-ol.
What is the SMILES notation for 4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-4-piperazin-1-ylquinazolin-7-yl]naphthalen-2-ol?
The canonical SMILES for 4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-4-piperazin-1-ylquinazolin-7-yl]naphthalen-2-ol is CN(C)C1CN(c2nc(N3CCNCC3)c3cc(Cl)c(-c4cc(O)cc5ccccc45)c(F)c3n2)C1.
What is the InChIKey of 4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-4-piperazin-1-ylquinazolin-7-yl]naphthalen-2-ol?
The InChIKey is GYBOWEMHOJATJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClFN6O/c1-33(2)17-14-35(15-17)27-31-25-21(26(32-27)34-9-7-30-8-10-34)13-22(28)23(24(25)29)20-12-18(36)11-16-5-3-4-6-19(16)20/h3-6,11-13,17,30,36H,7-10,14-15H2,1-2H3.
What are the key properties of 4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-4-piperazin-1-ylquinazolin-7-yl]naphthalen-2-ol?
4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-4-piperazin-1-ylquinazolin-7-yl]naphthalen-2-ol has a molecular weight of 507.01 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-4-piperazin-1-ylquinazolin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 131965235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).