5-chloro-7-oxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide

C23H26ClN5O3 — CID 137416251

IUPAC5-chloro-7-oxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
SMILESCc1nc(CNC(=O)c2cc3cc(Cl)c4c(c3o2)C2(CCCCC2)NC(=O)N4)n(C)c1C
InChIInChI=1S/C23H26ClN5O3/c1-12-13(2)29(3)17(26-12)11-25-21(30)16-10-14-9-15(24)19-18(20(14)32-16)23(28-22(31)27-19)7-5-4-6-8-23/h9-10H,4-8,11H2,1-3H3,(H,25,30)(H2,27,28,31)
InChIKeyKBNHILPQPKVQSP-UHFFFAOYSA-N
MW455.95 g/mol
LogP4.66
Rot. Bonds3

About 5-chloro-7-oxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide

5-chloro-7-oxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide (PubChem CID 137416251) has the molecular formula C23H26ClN5O3 and a molecular weight of 455.95 g/mol. Its IUPAC name is 5-chloro-7-oxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide.

Molecular Properties

Compound Name5-chloro-7-oxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
PubChem CID137416251
Molecular FormulaC23H26ClN5O3
Molecular Weight455.95 g/mol
Exact Mass455.17
IUPAC Name5-chloro-7-oxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
SMILESCc1nc(CNC(=O)c2cc3cc(Cl)c4c(c3o2)C2(CCCCC2)NC(=O)N4)n(C)c1C
InChIInChI=1S/C23H26ClN5O3/c1-12-13(2)29(3)17(26-12)11-25-21(30)16-10-14-9-15(24)19-18(20(14)32-16)23(28-22(31)27-19)7-5-4-6-8-23/h9-10H,4-8,11H2,1-3H3,(H,25,30)(H2,27,28,31)
InChIKeyKBNHILPQPKVQSP-UHFFFAOYSA-N
XLogP4.66
TPSA101.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.95
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-chloro-7-oxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]spiro[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-7-oxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The IUPAC name of 5-chloro-7-oxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide (CID 137416251) is 5-chloro-7-oxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide.
What is the SMILES notation for 5-chloro-7-oxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The canonical SMILES for 5-chloro-7-oxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide is Cc1nc(CNC(=O)c2cc3cc(Cl)c4c(c3o2)C2(CCCCC2)NC(=O)N4)n(C)c1C.
What is the InChIKey of 5-chloro-7-oxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The InChIKey is KBNHILPQPKVQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O3/c1-12-13(2)29(3)17(26-12)11-25-21(30)16-10-14-9-15(24)19-18(20(14)32-16)23(28-22(31)27-19)7-5-4-6-8-23/h9-10H,4-8,11H2,1-3H3,(H,25,30)(H2,27,28,31).
What are the key properties of 5-chloro-7-oxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
5-chloro-7-oxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide has a molecular weight of 455.95 g/mol, XLogP of 4.66, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-oxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide is sourced from PubChem (CID 137416251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).