1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(piperidin-4-ylamino)-3,4-dihydroquinazolin-2-one

C25H22Cl2F2N4O — CID 23532568

About 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(piperidin-4-ylamino)-3,4-dihydroquinazolin-2-one

1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(piperidin-4-ylamino)-3,4-dihydroquinazolin-2-one (PubChem CID 23532568) has the molecular formula C25H22Cl2F2N4O and a molecular weight of 503.38 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(piperidin-4-ylamino)-3,4-dihydroquinazolin-2-one.

Molecular Properties

• Compound Name: 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(piperidin-4-ylamino)-3,4-dihydroquinazolin-2-one
• PubChem CID: 23532568
• Molecular Formula: C25H22Cl2F2N4O
• Molecular Weight: 503.38 g/mol
• Exact Mass: 502.11
• IUPAC Name: 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(piperidin-4-ylamino)-3,4-dihydroquinazolin-2-one
• SMILES: O=C1NCc2c(-c3ccc(F)cc3F)cc(NC3CCNCC3)cc2N1c1c(Cl)cccc1Cl
• InChI: InChI=1S/C25H22Cl2F2N4O/c26-20-2-1-3-21(27)24(20)33-23-12-16(32-15-6-8-30-9-7-15)11-18(19(23)13-31-25(33)34)17-5-4-14(28)10-22(17)29/h1-5,10-12,15,30,32H,6-9,13H2,(H,31,34)
• InChIKey: UVYZMIVPCOLQCO-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 56.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.38
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(piperidin-4-ylamino)-3,4-dihydroquinazolin-2-one?

The IUPAC name of 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(piperidin-4-ylamino)-3,4-dihydroquinazolin-2-one (CID 23532568) is 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(piperidin-4-ylamino)-3,4-dihydroquinazolin-2-one.

What is the SMILES notation for 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(piperidin-4-ylamino)-3,4-dihydroquinazolin-2-one?

The canonical SMILES for 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(piperidin-4-ylamino)-3,4-dihydroquinazolin-2-one is O=C1NCc2c(-c3ccc(F)cc3F)cc(NC3CCNCC3)cc2N1c1c(Cl)cccc1Cl.

What is the InChIKey of 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(piperidin-4-ylamino)-3,4-dihydroquinazolin-2-one?

The InChIKey is UVYZMIVPCOLQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2F2N4O/c26-20-2-1-3-21(27)24(20)33-23-12-16(32-15-6-8-30-9-7-15)11-18(19(23)13-31-25(33)34)17-5-4-14(28)10-22(17)29/h1-5,10-12,15,30,32H,6-9,13H2,(H,31,34).

What are the key properties of 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(piperidin-4-ylamino)-3,4-dihydroquinazolin-2-one?

1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(piperidin-4-ylamino)-3,4-dihydroquinazolin-2-one has a molecular weight of 503.38 g/mol, XLogP of 6.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(piperidin-4-ylamino)-3,4-dihydroquinazolin-2-one is sourced from PubChem (CID 23532568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).