5-chloro-2-(4-pyridin-2-ylpiperazine-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one

C25H26ClN5O3 — CID 137416661

IUPAC5-chloro-2-(4-pyridin-2-ylpiperazine-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
SMILESO=C1Nc2c(Cl)cc3cc(C(=O)N4CCN(c5ccccn5)CC4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C25H26ClN5O3/c26-17-14-16-15-18(23(32)31-12-10-30(11-13-31)19-6-2-5-9-27-19)34-22(16)20-21(17)28-24(33)29-25(20)7-3-1-4-8-25/h2,5-6,9,14-15H,1,3-4,7-8,10-13H2,(H2,28,29,33)
InChIKeyZHMGFLDMTJXIII-UHFFFAOYSA-N
MW479.97 g/mol
LogP4.74
Rot. Bonds2

About 5-chloro-2-(4-pyridin-2-ylpiperazine-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one

5-chloro-2-(4-pyridin-2-ylpiperazine-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one (PubChem CID 137416661) has the molecular formula C25H26ClN5O3 and a molecular weight of 479.97 g/mol. Its IUPAC name is 5-chloro-2-(4-pyridin-2-ylpiperazine-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one.

Molecular Properties

Compound Name5-chloro-2-(4-pyridin-2-ylpiperazine-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
PubChem CID137416661
Molecular FormulaC25H26ClN5O3
Molecular Weight479.97 g/mol
Exact Mass479.17
IUPAC Name5-chloro-2-(4-pyridin-2-ylpiperazine-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
SMILESO=C1Nc2c(Cl)cc3cc(C(=O)N4CCN(c5ccccn5)CC4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C25H26ClN5O3/c26-17-14-16-15-18(23(32)31-12-10-30(11-13-31)19-6-2-5-9-27-19)34-22(16)20-21(17)28-24(33)29-25(20)7-3-1-4-8-25/h2,5-6,9,14-15H,1,3-4,7-8,10-13H2,(H2,28,29,33)
InChIKeyZHMGFLDMTJXIII-UHFFFAOYSA-N
XLogP4.74
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.97
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-(3-Chloropyridin-2-yl)piperidin-4-yl)-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
CID 59636728
US11685745, Example 355
CID 137415848
US11685745, Example 280
CID 137415978
US11685745, Example 334
CID 137416656
US11685745, Example 373
CID 137416673
US11685745, Example 367
CID 137416772
US11685745, Example 324
CID 137415843
US11685745, Example 425
CID 137415851
US11685745, Example 491
CID 137415941
US11685745, Example 364
CID 137416104
US11685745, Example 288
CID 137416141
US11685745, Example 307
CID 137416172

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-pyridin-2-ylpiperazine-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
The IUPAC name of 5-chloro-2-(4-pyridin-2-ylpiperazine-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one (CID 137416661) is 5-chloro-2-(4-pyridin-2-ylpiperazine-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one.
What is the SMILES notation for 5-chloro-2-(4-pyridin-2-ylpiperazine-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
The canonical SMILES for 5-chloro-2-(4-pyridin-2-ylpiperazine-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one is O=C1Nc2c(Cl)cc3cc(C(=O)N4CCN(c5ccccn5)CC4)oc3c2C2(CCCCC2)N1.
What is the InChIKey of 5-chloro-2-(4-pyridin-2-ylpiperazine-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
The InChIKey is ZHMGFLDMTJXIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O3/c26-17-14-16-15-18(23(32)31-12-10-30(11-13-31)19-6-2-5-9-27-19)34-22(16)20-21(17)28-24(33)29-25(20)7-3-1-4-8-25/h2,5-6,9,14-15H,1,3-4,7-8,10-13H2,(H2,28,29,33).
What are the key properties of 5-chloro-2-(4-pyridin-2-ylpiperazine-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
5-chloro-2-(4-pyridin-2-ylpiperazine-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one has a molecular weight of 479.97 g/mol, XLogP of 4.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-pyridin-2-ylpiperazine-1-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one is sourced from PubChem (CID 137416661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).