5-chloro-N-[1-(methoxymethyl)cyclopropyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide

C22H26ClN3O3 — CID 167673923

IUPAC5-chloro-N-[1-(methoxymethyl)cyclopropyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
SMILESC=C1Nc2c(Cl)cc3cc(C(=O)NC4(COC)CC4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C22H26ClN3O3/c1-13-24-18-15(23)10-14-11-16(20(27)26-21(8-9-21)12-28-2)29-19(14)17(18)22(25-13)6-4-3-5-7-22/h10-11,24-25H,1,3-9,12H2,2H3,(H,26,27)
InChIKeyUNRJOZIOSKWWPJ-UHFFFAOYSA-N
MW415.92 g/mol
LogP4.64
Rot. Bonds4

About 5-chloro-N-[1-(methoxymethyl)cyclopropyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide

5-chloro-N-[1-(methoxymethyl)cyclopropyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide (PubChem CID 167673923) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is 5-chloro-N-[1-(methoxymethyl)cyclopropyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(methoxymethyl)cyclopropyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
PubChem CID167673923
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC Name5-chloro-N-[1-(methoxymethyl)cyclopropyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
SMILESC=C1Nc2c(Cl)cc3cc(C(=O)NC4(COC)CC4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C22H26ClN3O3/c1-13-24-18-15(23)10-14-11-16(20(27)26-21(8-9-21)12-28-2)29-19(14)17(18)22(25-13)6-4-3-5-7-22/h10-11,24-25H,1,3-9,12H2,2H3,(H,26,27)
InChIKeyUNRJOZIOSKWWPJ-UHFFFAOYSA-N
XLogP4.64
TPSA75.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(methoxymethyl)cyclopropyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(methoxymethyl)cyclopropyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide (CID 167673923) is 5-chloro-N-[1-(methoxymethyl)cyclopropyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(methoxymethyl)cyclopropyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(methoxymethyl)cyclopropyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide is C=C1Nc2c(Cl)cc3cc(C(=O)NC4(COC)CC4)oc3c2C2(CCCCC2)N1.
What is the InChIKey of 5-chloro-N-[1-(methoxymethyl)cyclopropyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The InChIKey is UNRJOZIOSKWWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c1-13-24-18-15(23)10-14-11-16(20(27)26-21(8-9-21)12-28-2)29-19(14)17(18)22(25-13)6-4-3-5-7-22/h10-11,24-25H,1,3-9,12H2,2H3,(H,26,27).
What are the key properties of 5-chloro-N-[1-(methoxymethyl)cyclopropyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
5-chloro-N-[1-(methoxymethyl)cyclopropyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide has a molecular weight of 415.92 g/mol, XLogP of 4.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(methoxymethyl)cyclopropyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide is sourced from PubChem (CID 167673923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).