4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6-fluoroquinoline-7-carbonitrile

C24H16ClFN4O2 — CID 159512885

IUPAC4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6-fluoroquinoline-7-carbonitrile
SMILESN#Cc1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2cc1F
InChIInChI=1S/C24H16ClFN4O2/c25-14-5-12-7-22(24-18-11-28-3-2-20(18)30-32-24)31-23(12)17(8-14)15-1-4-29-21-6-13(10-27)19(26)9-16(15)21/h1,4-6,8-9,22,28H,2-3,7,11H2
InChIKeyMSIPMZNJRFBFEG-UHFFFAOYSA-N
MW446.87 g/mol
LogP4.88
Rot. Bonds2

About 4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6-fluoroquinoline-7-carbonitrile

4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6-fluoroquinoline-7-carbonitrile (PubChem CID 159512885) has the molecular formula C24H16ClFN4O2 and a molecular weight of 446.87 g/mol. Its IUPAC name is 4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6-fluoroquinoline-7-carbonitrile.

Molecular Properties

Compound Name4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6-fluoroquinoline-7-carbonitrile
PubChem CID159512885
Molecular FormulaC24H16ClFN4O2
Molecular Weight446.87 g/mol
Exact Mass446.09
IUPAC Name4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6-fluoroquinoline-7-carbonitrile
SMILESN#Cc1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2cc1F
InChIInChI=1S/C24H16ClFN4O2/c25-14-5-12-7-22(24-18-11-28-3-2-20(18)30-32-24)31-23(12)17(8-14)15-1-4-29-21-6-13(10-27)19(26)9-16(15)21/h1,4-6,8-9,22,28H,2-3,7,11H2
InChIKeyMSIPMZNJRFBFEG-UHFFFAOYSA-N
XLogP4.88
TPSA83.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.87
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6-fluoroquinoline-7-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6-fluoroquinoline-7-carbonitrile?
The IUPAC name of 4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6-fluoroquinoline-7-carbonitrile (CID 159512885) is 4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6-fluoroquinoline-7-carbonitrile.
What is the SMILES notation for 4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6-fluoroquinoline-7-carbonitrile?
The canonical SMILES for 4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6-fluoroquinoline-7-carbonitrile is N#Cc1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2cc1F.
What is the InChIKey of 4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6-fluoroquinoline-7-carbonitrile?
The InChIKey is MSIPMZNJRFBFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClFN4O2/c25-14-5-12-7-22(24-18-11-28-3-2-20(18)30-32-24)31-23(12)17(8-14)15-1-4-29-21-6-13(10-27)19(26)9-16(15)21/h1,4-6,8-9,22,28H,2-3,7,11H2.
What are the key properties of 4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6-fluoroquinoline-7-carbonitrile?
4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6-fluoroquinoline-7-carbonitrile has a molecular weight of 446.87 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6-fluoroquinoline-7-carbonitrile is sourced from PubChem (CID 159512885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).