N-[2-[4-[2,6-difluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-8-hydroxyquinoline-2-carboxamide

C29H25F2N7O5 — CID 16654962

IUPACN-[2-[4-[2,6-difluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-8-hydroxyquinoline-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2c(F)cc(-c3cc(CNc4ccon4)on3)cc2F)CC1)c1ccc2cccc(O)c2n1
InChIInChI=1S/C29H25F2N7O5/c30-20-12-18(23-14-19(43-35-23)15-32-25-6-11-42-36-25)13-21(31)28(20)38-9-7-37(8-10-38)26(40)16-33-29(41)22-5-4-17-2-1-3-24(39)27(17)34-22/h1-6,11-14,39H,7-10,15-16H2,(H,32,36)(H,33,41)
InChIKeyLKKUOXLIOMPRCC-UHFFFAOYSA-N
MW589.56 g/mol
LogP3.55
Rot. Bonds8

About N-[2-[4-[2,6-difluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-8-hydroxyquinoline-2-carboxamide

N-[2-[4-[2,6-difluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-8-hydroxyquinoline-2-carboxamide (PubChem CID 16654962) has the molecular formula C29H25F2N7O5 and a molecular weight of 589.56 g/mol. Its IUPAC name is N-[2-[4-[2,6-difluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-8-hydroxyquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[2,6-difluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-8-hydroxyquinoline-2-carboxamide
PubChem CID16654962
Molecular FormulaC29H25F2N7O5
Molecular Weight589.56 g/mol
Exact Mass589.19
IUPAC NameN-[2-[4-[2,6-difluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-8-hydroxyquinoline-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2c(F)cc(-c3cc(CNc4ccon4)on3)cc2F)CC1)c1ccc2cccc(O)c2n1
InChIInChI=1S/C29H25F2N7O5/c30-20-12-18(23-14-19(43-35-23)15-32-25-6-11-42-36-25)13-21(31)28(20)38-9-7-37(8-10-38)26(40)16-33-29(41)22-5-4-17-2-1-3-24(39)27(17)34-22/h1-6,11-14,39H,7-10,15-16H2,(H,32,36)(H,33,41)
InChIKeyLKKUOXLIOMPRCC-UHFFFAOYSA-N
XLogP3.55
TPSA149.86 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.56
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[2-[4-[2,6-difluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-8-hydroxyquinoline-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2,6-difluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-8-hydroxyquinoline-2-carboxamide?
The IUPAC name of N-[2-[4-[2,6-difluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-8-hydroxyquinoline-2-carboxamide (CID 16654962) is N-[2-[4-[2,6-difluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-8-hydroxyquinoline-2-carboxamide.
What is the SMILES notation for N-[2-[4-[2,6-difluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-8-hydroxyquinoline-2-carboxamide?
The canonical SMILES for N-[2-[4-[2,6-difluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-8-hydroxyquinoline-2-carboxamide is O=C(NCC(=O)N1CCN(c2c(F)cc(-c3cc(CNc4ccon4)on3)cc2F)CC1)c1ccc2cccc(O)c2n1.
What is the InChIKey of N-[2-[4-[2,6-difluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-8-hydroxyquinoline-2-carboxamide?
The InChIKey is LKKUOXLIOMPRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F2N7O5/c30-20-12-18(23-14-19(43-35-23)15-32-25-6-11-42-36-25)13-21(31)28(20)38-9-7-37(8-10-38)26(40)16-33-29(41)22-5-4-17-2-1-3-24(39)27(17)34-22/h1-6,11-14,39H,7-10,15-16H2,(H,32,36)(H,33,41).
What are the key properties of N-[2-[4-[2,6-difluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-8-hydroxyquinoline-2-carboxamide?
N-[2-[4-[2,6-difluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-8-hydroxyquinoline-2-carboxamide has a molecular weight of 589.56 g/mol, XLogP of 3.55, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2,6-difluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-8-hydroxyquinoline-2-carboxamide is sourced from PubChem (CID 16654962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).