N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2,5-difluorobenzamide;N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide

C40H34Cl2F4N8O2 — CID 87611497

IUPACN-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2,5-difluorobenzamide;N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide
SMILESO=C(NC1CCN(c2ncnc3cc(Cl)ccc23)CC1)c1cc(F)ccc1F.O=C(NC1CCN(c2ncnc3cc(Cl)ccc23)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/2C20H17ClF2N4O/c21-13-2-3-15-18(10-13)24-11-25-19(15)27-7-5-14(6-8-27)26-20(28)12-1-4-16(22)17(23)9-12;21-12-1-3-15-18(9-12)24-11-25-19(15)27-7-5-14(6-8-27)26-20(28)16-10-13(22)2-4-17(16)23/h2*1-4,9-11,14H,5-8H2,(H,26,28)
InChIKeyATXNOEPLSLNXDA-UHFFFAOYSA-N
MW805.66 g/mol
LogP7.92
Rot. Bonds6

About N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2,5-difluorobenzamide;N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide

N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2,5-difluorobenzamide;N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide (PubChem CID 87611497) has the molecular formula C40H34Cl2F4N8O2 and a molecular weight of 805.66 g/mol. Its IUPAC name is N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2,5-difluorobenzamide;N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2,5-difluorobenzamide;N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide
PubChem CID87611497
Molecular FormulaC40H34Cl2F4N8O2
Molecular Weight805.66 g/mol
Exact Mass804.21
IUPAC NameN-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2,5-difluorobenzamide;N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide
SMILESO=C(NC1CCN(c2ncnc3cc(Cl)ccc23)CC1)c1cc(F)ccc1F.O=C(NC1CCN(c2ncnc3cc(Cl)ccc23)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/2C20H17ClF2N4O/c21-13-2-3-15-18(10-13)24-11-25-19(15)27-7-5-14(6-8-27)26-20(28)12-1-4-16(22)17(23)9-12;21-12-1-3-15-18(9-12)24-11-25-19(15)27-7-5-14(6-8-27)26-20(28)16-10-13(22)2-4-17(16)23/h2*1-4,9-11,14H,5-8H2,(H,26,28)
InChIKeyATXNOEPLSLNXDA-UHFFFAOYSA-N
XLogP7.92
TPSA116.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.66
LogP ≤ 57.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2,5-difluorobenzamide;N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide with MolForge

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Related Compounds

N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide
CID 24829708
N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
CID 86839632
N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2-methylfuran-3-carboxamide
CID 86884110
2-chloro-N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-4-nitrobenzamide
CID 24830041
N-[1-(6-chloroisoquinolin-1-yl)piperidin-4-yl]-2,4-difluorobenzamide
CID 68881320
2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 87015310
1-(7-chloroquinazolin-4-yl)piperidin-4-ol
CID 17488821
2,5-difluoro-N-(4-morpholin-4-ylquinazolin-7-yl)benzamide
CID 53137510
N-[1-(6-chloroisoquinolin-1-yl)piperidin-4-yl]-2-fluorobenzamide
CID 68880991
N-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3,4-difluorobenzamide
CID 155547150
methyl 4-[4-[4-[(2,3-dichlorobenzoyl)amino]piperidin-1-yl]quinazolin-7-yl]benzoate
CID 68879918
N-[1-(7-anilinoquinazolin-4-yl)piperidin-4-yl]-2,3-dichlorobenzamide
CID 68879453

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2,5-difluorobenzamide;N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide?
The IUPAC name of N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2,5-difluorobenzamide;N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide (CID 87611497) is N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2,5-difluorobenzamide;N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2,5-difluorobenzamide;N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide?
The canonical SMILES for N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2,5-difluorobenzamide;N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide is O=C(NC1CCN(c2ncnc3cc(Cl)ccc23)CC1)c1cc(F)ccc1F.O=C(NC1CCN(c2ncnc3cc(Cl)ccc23)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2,5-difluorobenzamide;N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide?
The InChIKey is ATXNOEPLSLNXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H17ClF2N4O/c21-13-2-3-15-18(10-13)24-11-25-19(15)27-7-5-14(6-8-27)26-20(28)12-1-4-16(22)17(23)9-12;21-12-1-3-15-18(9-12)24-11-25-19(15)27-7-5-14(6-8-27)26-20(28)16-10-13(22)2-4-17(16)23/h2*1-4,9-11,14H,5-8H2,(H,26,28).
What are the key properties of N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2,5-difluorobenzamide;N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide?
N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2,5-difluorobenzamide;N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide has a molecular weight of 805.66 g/mol, XLogP of 7.92, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2,5-difluorobenzamide;N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide is sourced from PubChem (CID 87611497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).