N-(6-cyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide

C18H13F2N5O3 — CID 171497066

IUPACN-(6-cyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
SMILESN#Cc1cnc2c(c1)OCC2NC(=O)CN1Cc2c(ccc(F)c2F)NC1=O
InChIInChI=1S/C18H13F2N5O3/c19-11-1-2-12-10(16(11)20)6-25(18(27)24-12)7-15(26)23-13-8-28-14-3-9(4-21)5-22-17(13)14/h1-3,5,13H,6-8H2,(H,23,26)(H,24,27)
InChIKeyYQLIYZQDNGSTPP-UHFFFAOYSA-N
MW385.33 g/mol
LogP1.83
Rot. Bonds3

About N-(6-cyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide

N-(6-cyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide (PubChem CID 171497066) has the molecular formula C18H13F2N5O3 and a molecular weight of 385.33 g/mol. Its IUPAC name is N-(6-cyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(6-cyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
PubChem CID171497066
Molecular FormulaC18H13F2N5O3
Molecular Weight385.33 g/mol
Exact Mass385.10
IUPAC NameN-(6-cyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
SMILESN#Cc1cnc2c(c1)OCC2NC(=O)CN1Cc2c(ccc(F)c2F)NC1=O
InChIInChI=1S/C18H13F2N5O3/c19-11-1-2-12-10(16(11)20)6-25(18(27)24-12)7-15(26)23-13-8-28-14-3-9(4-21)5-22-17(13)14/h1-3,5,13H,6-8H2,(H,23,26)(H,24,27)
InChIKeyYQLIYZQDNGSTPP-UHFFFAOYSA-N
XLogP1.83
TPSA107.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide?
The IUPAC name of N-(6-cyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide (CID 171497066) is N-(6-cyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(6-cyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide?
The canonical SMILES for N-(6-cyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide is N#Cc1cnc2c(c1)OCC2NC(=O)CN1Cc2c(ccc(F)c2F)NC1=O.
What is the InChIKey of N-(6-cyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide?
The InChIKey is YQLIYZQDNGSTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O3/c19-11-1-2-12-10(16(11)20)6-25(18(27)24-12)7-15(26)23-13-8-28-14-3-9(4-21)5-22-17(13)14/h1-3,5,13H,6-8H2,(H,23,26)(H,24,27).
What are the key properties of N-(6-cyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide?
N-(6-cyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide has a molecular weight of 385.33 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide is sourced from PubChem (CID 171497066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).