N-(2,6-difluorophenyl)-4-(4-(6-methoxyquinazolin-4-ylamino)-2-methylphenoxy)piperidine-1-carboxamide

C28H27F2N5O3 — CID 11272368

IUPACN-(2,6-difluorophenyl)-4-[4-[(6-methoxyquinazolin-4-yl)amino]-2-methylphenoxy]piperidine-1-carboxamide
SMILESCC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)OC)OC4CCN(CC4)C(=O)NC5=C(C=CC=C5F)F
InChIInChI=1S/C28H27F2N5O3/c1-17-14-18(33-27-21-15-20(37-2)7-8-24(21)31-16-32-27)6-9-25(17)38-19-10-12-35(13-11-19)28(36)34-26-22(29)4-3-5-23(26)30/h3-9,14-16,19H,10-13H2,1-2H3,(H,34,36)(H,31,32,33)
InChIKeyFYJXVEUHAIFPHG-UHFFFAOYSA-N
MW519.50 g/mol
LogP5.40
Rot. Bonds6

About N-(2,6-difluorophenyl)-4-(4-(6-methoxyquinazolin-4-ylamino)-2-methylphenoxy)piperidine-1-carboxamide

N-(2,6-difluorophenyl)-4-(4-(6-methoxyquinazolin-4-ylamino)-2-methylphenoxy)piperidine-1-carboxamide (PubChem CID 11272368) has the molecular formula C28H27F2N5O3 and a molecular weight of 519.50 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-[4-[(6-methoxyquinazolin-4-yl)amino]-2-methylphenoxy]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-4-(4-(6-methoxyquinazolin-4-ylamino)-2-methylphenoxy)piperidine-1-carboxamide
PubChem CID11272368
Molecular FormulaC28H27F2N5O3
Molecular Weight519.50 g/mol
Exact Mass519.21
IUPAC NameN-(2,6-difluorophenyl)-4-[4-[(6-methoxyquinazolin-4-yl)amino]-2-methylphenoxy]piperidine-1-carboxamide
SMILESCC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)OC)OC4CCN(CC4)C(=O)NC5=C(C=CC=C5F)F
InChIInChI=1S/C28H27F2N5O3/c1-17-14-18(33-27-21-15-20(37-2)7-8-24(21)31-16-32-27)6-9-25(17)38-19-10-12-35(13-11-19)28(36)34-26-22(29)4-3-5-23(26)30/h3-9,14-16,19H,10-13H2,1-2H3,(H,34,36)(H,31,32,33)
InChIKeyFYJXVEUHAIFPHG-UHFFFAOYSA-N
XLogP5.40
TPSA88.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity763

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.50
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(2,6-difluorophenyl)-4-(4-(6-methoxyquinazolin-4-ylamino)-2-methylphenoxy)piperidine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 3038522
CID 3038522
CID 9874913
CID 9874913
CID 23729147
CID 23729147
CID 5329484
CID 5329484
CID 155195529
CID 155195529
CID 447021
CID 447021
CID 712152
CID 712152
CID 877998
CID 877998
CID 5328186
CID 5328186
CID 5329042
CID 5329042
CID 5329049
CID 5329049
CID 5329481
CID 5329481

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-4-(4-(6-methoxyquinazolin-4-ylamino)-2-methylphenoxy)piperidine-1-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-4-(4-(6-methoxyquinazolin-4-ylamino)-2-methylphenoxy)piperidine-1-carboxamide (CID 11272368) is N-(2,6-difluorophenyl)-4-[4-[(6-methoxyquinazolin-4-yl)amino]-2-methylphenoxy]piperidine-1-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-4-(4-(6-methoxyquinazolin-4-ylamino)-2-methylphenoxy)piperidine-1-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-4-(4-(6-methoxyquinazolin-4-ylamino)-2-methylphenoxy)piperidine-1-carboxamide is CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)OC)OC4CCN(CC4)C(=O)NC5=C(C=CC=C5F)F.
What is the InChIKey of N-(2,6-difluorophenyl)-4-(4-(6-methoxyquinazolin-4-ylamino)-2-methylphenoxy)piperidine-1-carboxamide?
The InChIKey is FYJXVEUHAIFPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2N5O3/c1-17-14-18(33-27-21-15-20(37-2)7-8-24(21)31-16-32-27)6-9-25(17)38-19-10-12-35(13-11-19)28(36)34-26-22(29)4-3-5-23(26)30/h3-9,14-16,19H,10-13H2,1-2H3,(H,34,36)(H,31,32,33).
What are the key properties of N-(2,6-difluorophenyl)-4-(4-(6-methoxyquinazolin-4-ylamino)-2-methylphenoxy)piperidine-1-carboxamide?
N-(2,6-difluorophenyl)-4-(4-(6-methoxyquinazolin-4-ylamino)-2-methylphenoxy)piperidine-1-carboxamide has a molecular weight of 519.50 g/mol, XLogP of 5.40, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-4-(4-(6-methoxyquinazolin-4-ylamino)-2-methylphenoxy)piperidine-1-carboxamide is sourced from PubChem (CID 11272368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).