5-chloro-2-[1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylprop-1-enyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one

C25H34ClN5O3 — CID 137415838

IUPAC5-chloro-2-[1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylprop-1-enyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one
SMILESCOCCN1CCN(C(=C(C)C)c2nc3cc(Cl)c4c(c3o2)C2(CCCCC2)NC(=O)N4)CC1
InChIInChI=1S/C25H34ClN5O3/c1-16(2)21(31-11-9-30(10-12-31)13-14-33-3)23-27-18-15-17(26)20-19(22(18)34-23)25(29-24(32)28-20)7-5-4-6-8-25/h15H,4-14H2,1-3H3,(H2,28,29,32)
InChIKeyNRZFIURETUURJG-UHFFFAOYSA-N
MW488.03 g/mol
LogP4.79
Rot. Bonds5

About 5-chloro-2-[1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylprop-1-enyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one

5-chloro-2-[1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylprop-1-enyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one (PubChem CID 137415838) has the molecular formula C25H34ClN5O3 and a molecular weight of 488.03 g/mol. Its IUPAC name is 5-chloro-2-[1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylprop-1-enyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one.

Molecular Properties

Compound Name5-chloro-2-[1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylprop-1-enyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one
PubChem CID137415838
Molecular FormulaC25H34ClN5O3
Molecular Weight488.03 g/mol
Exact Mass487.24
IUPAC Name5-chloro-2-[1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylprop-1-enyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one
SMILESCOCCN1CCN(C(=C(C)C)c2nc3cc(Cl)c4c(c3o2)C2(CCCCC2)NC(=O)N4)CC1
InChIInChI=1S/C25H34ClN5O3/c1-16(2)21(31-11-9-30(10-12-31)13-14-33-3)23-27-18-15-17(26)20-19(22(18)34-23)25(29-24(32)28-20)7-5-4-6-8-25/h15H,4-14H2,1-3H3,(H2,28,29,32)
InChIKeyNRZFIURETUURJG-UHFFFAOYSA-N
XLogP4.79
TPSA82.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.03
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-2-[1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylprop-1-enyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one with MolForge

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Related Compounds

US11685745, Example 37
CID 137415899
US11685745, Example 189
CID 137416107
US11685745, Example 53
CID 137415754
US11685745, Example 149
CID 137415798
US11685745, Example 217
CID 137415827
US11685745, Example 195
CID 137415829
US11685745, Example 71
CID 137415892
US11685745, Example 46
CID 137415914
US11685745, Example 43
CID 137415935
US11685745, Example 42
CID 137415942
US11685745, Example 205
CID 137415953
US11685745, Example 164
CID 137415954

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylprop-1-enyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one?
The IUPAC name of 5-chloro-2-[1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylprop-1-enyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one (CID 137415838) is 5-chloro-2-[1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylprop-1-enyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one.
What is the SMILES notation for 5-chloro-2-[1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylprop-1-enyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one?
The canonical SMILES for 5-chloro-2-[1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylprop-1-enyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one is COCCN1CCN(C(=C(C)C)c2nc3cc(Cl)c4c(c3o2)C2(CCCCC2)NC(=O)N4)CC1.
What is the InChIKey of 5-chloro-2-[1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylprop-1-enyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one?
The InChIKey is NRZFIURETUURJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34ClN5O3/c1-16(2)21(31-11-9-30(10-12-31)13-14-33-3)23-27-18-15-17(26)20-19(22(18)34-23)25(29-24(32)28-20)7-5-4-6-8-25/h15H,4-14H2,1-3H3,(H2,28,29,32).
What are the key properties of 5-chloro-2-[1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylprop-1-enyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one?
5-chloro-2-[1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylprop-1-enyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one has a molecular weight of 488.03 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylprop-1-enyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one is sourced from PubChem (CID 137415838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).