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

C24H25ClN4O3 — CID 137416202

IUPAC5-chloro-N-methyl-7-oxo-N-(2-pyridin-2-ylethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1cc2cc(Cl)c3c(c2o1)C1(CCCCC1)NC(=O)N3
InChIInChI=1S/C24H25ClN4O3/c1-29(12-8-16-7-3-6-11-26-16)22(30)18-14-15-13-17(25)20-19(21(15)32-18)24(28-23(31)27-20)9-4-2-5-10-24/h3,6-7,11,13-14H,2,4-5,8-10,12H2,1H3,(H2,27,28,31)
InChIKeyWVCKOMPFXCVUIQ-UHFFFAOYSA-N
MW452.94 g/mol
LogP5.09
Rot. Bonds4

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

5-chloro-N-methyl-7-oxo-N-(2-pyridin-2-ylethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide (PubChem CID 137416202) has the molecular formula C24H25ClN4O3 and a molecular weight of 452.94 g/mol. Its IUPAC name is 5-chloro-N-methyl-7-oxo-N-(2-pyridin-2-ylethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-7-oxo-N-(2-pyridin-2-ylethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
PubChem CID137416202
Molecular FormulaC24H25ClN4O3
Molecular Weight452.94 g/mol
Exact Mass452.16
IUPAC Name5-chloro-N-methyl-7-oxo-N-(2-pyridin-2-ylethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1cc2cc(Cl)c3c(c2o1)C1(CCCCC1)NC(=O)N3
InChIInChI=1S/C24H25ClN4O3/c1-29(12-8-16-7-3-6-11-26-16)22(30)18-14-15-13-17(25)20-19(21(15)32-18)24(28-23(31)27-20)9-4-2-5-10-24/h3,6-7,11,13-14H,2,4-5,8-10,12H2,1H3,(H2,27,28,31)
InChIKeyWVCKOMPFXCVUIQ-UHFFFAOYSA-N
XLogP5.09
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.94
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-7-oxo-N-(2-pyridin-2-ylethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The IUPAC name of 5-chloro-N-methyl-7-oxo-N-(2-pyridin-2-ylethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide (CID 137416202) is 5-chloro-N-methyl-7-oxo-N-(2-pyridin-2-ylethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-7-oxo-N-(2-pyridin-2-ylethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-7-oxo-N-(2-pyridin-2-ylethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide is CN(CCc1ccccn1)C(=O)c1cc2cc(Cl)c3c(c2o1)C1(CCCCC1)NC(=O)N3.
What is the InChIKey of 5-chloro-N-methyl-7-oxo-N-(2-pyridin-2-ylethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The InChIKey is WVCKOMPFXCVUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O3/c1-29(12-8-16-7-3-6-11-26-16)22(30)18-14-15-13-17(25)20-19(21(15)32-18)24(28-23(31)27-20)9-4-2-5-10-24/h3,6-7,11,13-14H,2,4-5,8-10,12H2,1H3,(H2,27,28,31).
What are the key properties of 5-chloro-N-methyl-7-oxo-N-(2-pyridin-2-ylethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
5-chloro-N-methyl-7-oxo-N-(2-pyridin-2-ylethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide has a molecular weight of 452.94 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-7-oxo-N-(2-pyridin-2-ylethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide is sourced from PubChem (CID 137416202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).