2-chloro-N-[[1-[4-(dimethylamino)quinazolin-2-yl]piperidin-4-yl]methyl]-3,6-difluorobenzamide

C23H24ClF2N5O — CID 142231025

IUPAC2-chloro-N-[[1-[4-(dimethylamino)quinazolin-2-yl]piperidin-4-yl]methyl]-3,6-difluorobenzamide
SMILESCN(C)c1nc(N2CCC(CNC(=O)c3c(F)ccc(F)c3Cl)CC2)nc2ccccc12
InChIInChI=1S/C23H24ClF2N5O/c1-30(2)21-15-5-3-4-6-18(15)28-23(29-21)31-11-9-14(10-12-31)13-27-22(32)19-16(25)7-8-17(26)20(19)24/h3-8,14H,9-13H2,1-2H3,(H,27,32)
InChIKeyHNZPUKAMTJNTEJ-UHFFFAOYSA-N
MW459.93 g/mol
LogP4.27
Rot. Bonds5

About 2-chloro-N-[[1-[4-(dimethylamino)quinazolin-2-yl]piperidin-4-yl]methyl]-3,6-difluorobenzamide

2-chloro-N-[[1-[4-(dimethylamino)quinazolin-2-yl]piperidin-4-yl]methyl]-3,6-difluorobenzamide (PubChem CID 142231025) has the molecular formula C23H24ClF2N5O and a molecular weight of 459.93 g/mol. Its IUPAC name is 2-chloro-N-[[1-[4-(dimethylamino)quinazolin-2-yl]piperidin-4-yl]methyl]-3,6-difluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[[1-[4-(dimethylamino)quinazolin-2-yl]piperidin-4-yl]methyl]-3,6-difluorobenzamide
PubChem CID142231025
Molecular FormulaC23H24ClF2N5O
Molecular Weight459.93 g/mol
Exact Mass459.16
IUPAC Name2-chloro-N-[[1-[4-(dimethylamino)quinazolin-2-yl]piperidin-4-yl]methyl]-3,6-difluorobenzamide
SMILESCN(C)c1nc(N2CCC(CNC(=O)c3c(F)ccc(F)c3Cl)CC2)nc2ccccc12
InChIInChI=1S/C23H24ClF2N5O/c1-30(2)21-15-5-3-4-6-18(15)28-23(29-21)31-11-9-14(10-12-31)13-27-22(32)19-16(25)7-8-17(26)20(19)24/h3-8,14H,9-13H2,1-2H3,(H,27,32)
InChIKeyHNZPUKAMTJNTEJ-UHFFFAOYSA-N
XLogP4.27
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.93
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-chloro-N-[[1-[4-(dimethylamino)quinazolin-2-yl]piperidin-4-yl]methyl]-3,6-difluorobenzamide 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-N-[[1-[4-(dimethylamino)quinazolin-2-yl]piperidin-4-yl]methyl]-3,6-difluorobenzamide?
The IUPAC name of 2-chloro-N-[[1-[4-(dimethylamino)quinazolin-2-yl]piperidin-4-yl]methyl]-3,6-difluorobenzamide (CID 142231025) is 2-chloro-N-[[1-[4-(dimethylamino)quinazolin-2-yl]piperidin-4-yl]methyl]-3,6-difluorobenzamide.
What is the SMILES notation for 2-chloro-N-[[1-[4-(dimethylamino)quinazolin-2-yl]piperidin-4-yl]methyl]-3,6-difluorobenzamide?
The canonical SMILES for 2-chloro-N-[[1-[4-(dimethylamino)quinazolin-2-yl]piperidin-4-yl]methyl]-3,6-difluorobenzamide is CN(C)c1nc(N2CCC(CNC(=O)c3c(F)ccc(F)c3Cl)CC2)nc2ccccc12.
What is the InChIKey of 2-chloro-N-[[1-[4-(dimethylamino)quinazolin-2-yl]piperidin-4-yl]methyl]-3,6-difluorobenzamide?
The InChIKey is HNZPUKAMTJNTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF2N5O/c1-30(2)21-15-5-3-4-6-18(15)28-23(29-21)31-11-9-14(10-12-31)13-27-22(32)19-16(25)7-8-17(26)20(19)24/h3-8,14H,9-13H2,1-2H3,(H,27,32).
What are the key properties of 2-chloro-N-[[1-[4-(dimethylamino)quinazolin-2-yl]piperidin-4-yl]methyl]-3,6-difluorobenzamide?
2-chloro-N-[[1-[4-(dimethylamino)quinazolin-2-yl]piperidin-4-yl]methyl]-3,6-difluorobenzamide has a molecular weight of 459.93 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-[4-(dimethylamino)quinazolin-2-yl]piperidin-4-yl]methyl]-3,6-difluorobenzamide is sourced from PubChem (CID 142231025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).