5-chloro-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide

C23H21ClF2N4O4 — CID 137416656

IUPAC5-chloro-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
SMILESO=C1Nc2c(Cl)cc3cc(C(=O)NCc4ccc(OC(F)F)cn4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C23H21ClF2N4O4/c24-15-8-12-9-16(20(31)28-10-13-4-5-14(11-27-13)33-21(25)26)34-19(12)17-18(15)29-22(32)30-23(17)6-2-1-3-7-23/h4-5,8-9,11,21H,1-3,6-7,10H2,(H,28,31)(H2,29,30,32)
InChIKeyYPMHRBBLKGHELY-UHFFFAOYSA-N
MW490.89 g/mol
LogP5.31
Rot. Bonds5

About 5-chloro-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide

5-chloro-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide (PubChem CID 137416656) has the molecular formula C23H21ClF2N4O4 and a molecular weight of 490.89 g/mol. Its IUPAC name is 5-chloro-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
PubChem CID137416656
Molecular FormulaC23H21ClF2N4O4
Molecular Weight490.89 g/mol
Exact Mass490.12
IUPAC Name5-chloro-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
SMILESO=C1Nc2c(Cl)cc3cc(C(=O)NCc4ccc(OC(F)F)cn4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C23H21ClF2N4O4/c24-15-8-12-9-16(20(31)28-10-13-4-5-14(11-27-13)33-21(25)26)34-19(12)17-18(15)29-22(32)30-23(17)6-2-1-3-7-23/h4-5,8-9,11,21H,1-3,6-7,10H2,(H,28,31)(H2,29,30,32)
InChIKeyYPMHRBBLKGHELY-UHFFFAOYSA-N
XLogP5.31
TPSA105.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.89
LogP ≤ 55.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The IUPAC name of 5-chloro-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide (CID 137416656) is 5-chloro-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide is O=C1Nc2c(Cl)cc3cc(C(=O)NCc4ccc(OC(F)F)cn4)oc3c2C2(CCCCC2)N1.
What is the InChIKey of 5-chloro-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The InChIKey is YPMHRBBLKGHELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF2N4O4/c24-15-8-12-9-16(20(31)28-10-13-4-5-14(11-27-13)33-21(25)26)34-19(12)17-18(15)29-22(32)30-23(17)6-2-1-3-7-23/h4-5,8-9,11,21H,1-3,6-7,10H2,(H,28,31)(H2,29,30,32).
What are the key properties of 5-chloro-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
5-chloro-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide has a molecular weight of 490.89 g/mol, XLogP of 5.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide is sourced from PubChem (CID 137416656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).