4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]benzamide

C27H24FN5O3 — CID 138721106

IUPAC4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]benzamide
SMILESCOc1ccc(CNc2nc3c(F)cccc3c3nc(Cc4ccc(C(N)=O)cc4)cn23)c(OC)c1
InChIInChI=1S/C27H24FN5O3/c1-35-20-11-10-18(23(13-20)36-2)14-30-27-32-24-21(4-3-5-22(24)28)26-31-19(15-33(26)27)12-16-6-8-17(9-7-16)25(29)34/h3-11,13,15H,12,14H2,1-2H3,(H2,29,34)(H,30,32)
InChIKeyMSJRBFACYYMISA-UHFFFAOYSA-N
MW485.52 g/mol
LogP4.34
Rot. Bonds8

About 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]benzamide

4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]benzamide (PubChem CID 138721106) has the molecular formula C27H24FN5O3 and a molecular weight of 485.52 g/mol. Its IUPAC name is 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]benzamide
PubChem CID138721106
Molecular FormulaC27H24FN5O3
Molecular Weight485.52 g/mol
Exact Mass485.19
IUPAC Name4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]benzamide
SMILESCOc1ccc(CNc2nc3c(F)cccc3c3nc(Cc4ccc(C(N)=O)cc4)cn23)c(OC)c1
InChIInChI=1S/C27H24FN5O3/c1-35-20-11-10-18(23(13-20)36-2)14-30-27-32-24-21(4-3-5-22(24)28)26-31-19(15-33(26)27)12-16-6-8-17(9-7-16)25(29)34/h3-11,13,15H,12,14H2,1-2H3,(H2,29,34)(H,30,32)
InChIKeyMSJRBFACYYMISA-UHFFFAOYSA-N
XLogP4.34
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]benzamide?
The IUPAC name of 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]benzamide (CID 138721106) is 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]benzamide.
What is the SMILES notation for 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]benzamide?
The canonical SMILES for 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]benzamide is COc1ccc(CNc2nc3c(F)cccc3c3nc(Cc4ccc(C(N)=O)cc4)cn23)c(OC)c1.
What is the InChIKey of 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]benzamide?
The InChIKey is MSJRBFACYYMISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O3/c1-35-20-11-10-18(23(13-20)36-2)14-30-27-32-24-21(4-3-5-22(24)28)26-31-19(15-33(26)27)12-16-6-8-17(9-7-16)25(29)34/h3-11,13,15H,12,14H2,1-2H3,(H2,29,34)(H,30,32).
What are the key properties of 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]benzamide?
4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]benzamide has a molecular weight of 485.52 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]benzamide is sourced from PubChem (CID 138721106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).