N-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-piperidin-1-ylpropanamide

C24H27ClFN5O2 — CID 70694244

IUPACN-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-piperidin-1-ylpropanamide
SMILESCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCN1CCCCC1
InChIInChI=1S/C24H27ClFN5O2/c1-2-33-22-14-20-17(13-21(22)30-23(32)8-11-31-9-4-3-5-10-31)24(28-15-27-20)29-16-6-7-19(26)18(25)12-16/h6-7,12-15H,2-5,8-11H2,1H3,(H,30,32)(H,27,28,29)
InChIKeyNPJJOUHCDFRVGX-UHFFFAOYSA-N
MW471.96 g/mol
LogP5.38
Rot. Bonds8

About N-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-piperidin-1-ylpropanamide

N-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-piperidin-1-ylpropanamide (PubChem CID 70694244) has the molecular formula C24H27ClFN5O2 and a molecular weight of 471.96 g/mol. Its IUPAC name is N-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-piperidin-1-ylpropanamide
PubChem CID70694244
Molecular FormulaC24H27ClFN5O2
Molecular Weight471.96 g/mol
Exact Mass471.18
IUPAC NameN-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-piperidin-1-ylpropanamide
SMILESCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCN1CCCCC1
InChIInChI=1S/C24H27ClFN5O2/c1-2-33-22-14-20-17(13-21(22)30-23(32)8-11-31-9-4-3-5-10-31)24(28-15-27-20)29-16-6-7-19(26)18(25)12-16/h6-7,12-15H,2-5,8-11H2,1H3,(H,30,32)(H,27,28,29)
InChIKeyNPJJOUHCDFRVGX-UHFFFAOYSA-N
XLogP5.38
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.96
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-piperidin-1-ylpropanamide 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 N-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-piperidin-1-ylpropanamide (CID 70694244) is N-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-piperidin-1-ylpropanamide is CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCN1CCCCC1.
What is the InChIKey of N-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-piperidin-1-ylpropanamide?
The InChIKey is NPJJOUHCDFRVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClFN5O2/c1-2-33-22-14-20-17(13-21(22)30-23(32)8-11-31-9-4-3-5-10-31)24(28-15-27-20)29-16-6-7-19(26)18(25)12-16/h6-7,12-15H,2-5,8-11H2,1H3,(H,30,32)(H,27,28,29).
What are the key properties of N-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-piperidin-1-ylpropanamide?
N-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-piperidin-1-ylpropanamide has a molecular weight of 471.96 g/mol, XLogP of 5.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 70694244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).