6-chloro-1'-(furo[2,3-c]pyridin-5-ylmethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one

C20H18ClN3O3 — CID 175663451

IUPAC6-chloro-1'-(furo[2,3-c]pyridin-5-ylmethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
SMILESO=C1Nc2ccc(Cl)cc2C2(CCN(Cc3cc4ccoc4cn3)CC2)O1
InChIInChI=1S/C20H18ClN3O3/c21-14-1-2-17-16(10-14)20(27-19(25)23-17)4-6-24(7-5-20)12-15-9-13-3-8-26-18(13)11-22-15/h1-3,8-11H,4-7,12H2,(H,23,25)
InChIKeyKPJUNSPORWAFSX-UHFFFAOYSA-N
MW383.84 g/mol
LogP4.53
Rot. Bonds2

About 6-chloro-1'-(furo[2,3-c]pyridin-5-ylmethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one

6-chloro-1'-(furo[2,3-c]pyridin-5-ylmethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one (PubChem CID 175663451) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is 6-chloro-1'-(furo[2,3-c]pyridin-5-ylmethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one.

Molecular Properties

Compound Name6-chloro-1'-(furo[2,3-c]pyridin-5-ylmethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
PubChem CID175663451
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name6-chloro-1'-(furo[2,3-c]pyridin-5-ylmethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
SMILESO=C1Nc2ccc(Cl)cc2C2(CCN(Cc3cc4ccoc4cn3)CC2)O1
InChIInChI=1S/C20H18ClN3O3/c21-14-1-2-17-16(10-14)20(27-19(25)23-17)4-6-24(7-5-20)12-15-9-13-3-8-26-18(13)11-22-15/h1-3,8-11H,4-7,12H2,(H,23,25)
InChIKeyKPJUNSPORWAFSX-UHFFFAOYSA-N
XLogP4.53
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-1'-(furo[2,3-c]pyridin-5-ylmethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one with MolForge

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Related Compounds

6-chloro-3'-[3-(6-chloro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 10208637
6-chloro-1'-[5-[(4S)-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]pentyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
CID 70179739
1'-benzyl-5-chlorospiro[1H-indole-3,4'-piperidine]-2-one
CID 86180111
tert-butyl 4-[[3-(6-chloro-2-oxospiro[1H-3,1-benzoxazine-4,3'-pyrrolidine]-1'-yl)-1-oxo-1-phenylpropan-2-yl]carbamoyl]benzoate
CID 155045206
4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]pyridine-2-carbonitrile
CID 169137895
tert-butyl 6-chloro-2-oxospiro[1H-3,1-benzoxazine-4,3'-piperidine]-1'-carboxylate
CID 102423145
[6-[[(2S)-1-(6-chloro-2-oxospiro[1H-3,1-benzoxazine-4,3'-pyrrolidine]-1'-yl)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-3-pyridinyl]-methylcarbamic acid
CID 155044942
(4R)-1'-[(14S)-5-amino-9-oxo-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaene-14-carbonyl]-6-chlorospiro[1H-3,1-benzoxazine-4,3'-pyrrolidine]-2-one
CID 145303920
methyl (3S)-3-amino-4-[(4R)-6-chloro-2-oxospiro[1H-3,1-benzoxazine-4,3'-piperidine]-1'-yl]-4-oxobutanoate
CID 118471906
(4R)-6-chloro-1'-[2-[5-chloro-4-(4-fluorophenyl)-1H-imidazol-2-yl]-3-(4-fluorophenyl)propanoyl]spiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one
CID 118472184
[4-[2-[1-(6-chloro-2-oxospiro[1H-3,1-benzoxazine-4,3'-pyrrolidine]-1'-yl)-1-oxo-3-phenylpropan-2-yl]-1H-imidazol-5-yl]phenyl]carbamic acid
CID 126568044
methyl 2-(3,4-dichlorophenyl)-4-(6-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)butanoate
CID 59763404

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1'-(furo[2,3-c]pyridin-5-ylmethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one?
The IUPAC name of 6-chloro-1'-(furo[2,3-c]pyridin-5-ylmethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one (CID 175663451) is 6-chloro-1'-(furo[2,3-c]pyridin-5-ylmethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one.
What is the SMILES notation for 6-chloro-1'-(furo[2,3-c]pyridin-5-ylmethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one?
The canonical SMILES for 6-chloro-1'-(furo[2,3-c]pyridin-5-ylmethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one is O=C1Nc2ccc(Cl)cc2C2(CCN(Cc3cc4ccoc4cn3)CC2)O1.
What is the InChIKey of 6-chloro-1'-(furo[2,3-c]pyridin-5-ylmethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one?
The InChIKey is KPJUNSPORWAFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c21-14-1-2-17-16(10-14)20(27-19(25)23-17)4-6-24(7-5-20)12-15-9-13-3-8-26-18(13)11-22-15/h1-3,8-11H,4-7,12H2,(H,23,25).
What are the key properties of 6-chloro-1'-(furo[2,3-c]pyridin-5-ylmethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one?
6-chloro-1'-(furo[2,3-c]pyridin-5-ylmethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one has a molecular weight of 383.84 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1'-(furo[2,3-c]pyridin-5-ylmethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one is sourced from PubChem (CID 175663451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).