2-(3,4-difluorophenoxy)-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]propanamide

C25H29F2N5O2 — CID 11397235

About 2-(3,4-difluorophenoxy)-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]propanamide

2-(3,4-difluorophenoxy)-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]propanamide (PubChem CID 11397235) has the molecular formula C25H29F2N5O2 and a molecular weight of 469.54 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]propanamide.

Molecular Properties

• Compound Name: 2-(3,4-difluorophenoxy)-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]propanamide
• PubChem CID: 11397235
• Molecular Formula: C25H29F2N5O2
• Molecular Weight: 469.54 g/mol
• Exact Mass: 469.23
• IUPAC Name: 2-(3,4-difluorophenoxy)-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]propanamide
• SMILES: CC(Oc1ccc(F)c(F)c1)C(=O)NC1CCC(Nc2nc(N(C)C)c3ccccc3n2)CC1
• InChI: InChI=1S/C25H29F2N5O2/c1-15(34-18-12-13-20(26)21(27)14-18)24(33)28-16-8-10-17(11-9-16)29-25-30-22-7-5-4-6-19(22)23(31-25)32(2)3/h4-7,12-17H,8-11H2,1-3H3,(H,28,33)(H,29,30,31)
• InChIKey: CRSRAUVFLOWADB-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 79.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.54
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]propanamide?

The IUPAC name of 2-(3,4-difluorophenoxy)-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]propanamide (CID 11397235) is 2-(3,4-difluorophenoxy)-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]propanamide.

What is the SMILES notation for 2-(3,4-difluorophenoxy)-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]propanamide?

The canonical SMILES for 2-(3,4-difluorophenoxy)-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]propanamide is CC(Oc1ccc(F)c(F)c1)C(=O)NC1CCC(Nc2nc(N(C)C)c3ccccc3n2)CC1.

What is the InChIKey of 2-(3,4-difluorophenoxy)-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]propanamide?

The InChIKey is CRSRAUVFLOWADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F2N5O2/c1-15(34-18-12-13-20(26)21(27)14-18)24(33)28-16-8-10-17(11-9-16)29-25-30-22-7-5-4-6-19(22)23(31-25)32(2)3/h4-7,12-17H,8-11H2,1-3H3,(H,28,33)(H,29,30,31).

What are the key properties of 2-(3,4-difluorophenoxy)-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]propanamide?

2-(3,4-difluorophenoxy)-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]propanamide has a molecular weight of 469.54 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-difluorophenoxy)-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]propanamide is sourced from PubChem (CID 11397235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).