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

C24H23ClF2N4O3 — CID 167646552

IUPAC5-chloro-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
SMILESC=C1Nc2c(Cl)cc3cc(C(=O)NCc4ccc(OC(F)F)cn4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C24H23ClF2N4O3/c1-13-30-20-17(25)9-14-10-18(34-21(14)19(20)24(31-13)7-3-2-4-8-24)22(32)29-11-15-5-6-16(12-28-15)33-23(26)27/h5-6,9-10,12,23,30-31H,1-4,7-8,11H2,(H,29,32)
InChIKeyPYMFOFRPTYMFJL-UHFFFAOYSA-N
MW488.92 g/mol
LogP5.66
Rot. Bonds5

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

5-chloro-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide (PubChem CID 167646552) has the molecular formula C24H23ClF2N4O3 and a molecular weight of 488.92 g/mol. Its IUPAC name is 5-chloro-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
PubChem CID167646552
Molecular FormulaC24H23ClF2N4O3
Molecular Weight488.92 g/mol
Exact Mass488.14
IUPAC Name5-chloro-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
SMILESC=C1Nc2c(Cl)cc3cc(C(=O)NCc4ccc(OC(F)F)cn4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C24H23ClF2N4O3/c1-13-30-20-17(25)9-14-10-18(34-21(14)19(20)24(31-13)7-3-2-4-8-24)22(32)29-11-15-5-6-16(12-28-15)33-23(26)27/h5-6,9-10,12,23,30-31H,1-4,7-8,11H2,(H,29,32)
InChIKeyPYMFOFRPTYMFJL-UHFFFAOYSA-N
XLogP5.66
TPSA88.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.92
LogP ≤ 55.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-7-methylidenespiro[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-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The IUPAC name of 5-chloro-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide (CID 167646552) is 5-chloro-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide is C=C1Nc2c(Cl)cc3cc(C(=O)NCc4ccc(OC(F)F)cn4)oc3c2C2(CCCCC2)N1.
What is the InChIKey of 5-chloro-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The InChIKey is PYMFOFRPTYMFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF2N4O3/c1-13-30-20-17(25)9-14-10-18(34-21(14)19(20)24(31-13)7-3-2-4-8-24)22(32)29-11-15-5-6-16(12-28-15)33-23(26)27/h5-6,9-10,12,23,30-31H,1-4,7-8,11H2,(H,29,32).
What are the key properties of 5-chloro-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
5-chloro-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide has a molecular weight of 488.92 g/mol, XLogP of 5.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide is sourced from PubChem (CID 167646552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).