3-[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]acetyl]-6-ethyl-1,2-dimethylquinolin-4-one

C31H28FN3O5 — CID 159567255

IUPAC3-[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]acetyl]-6-ethyl-1,2-dimethylquinolin-4-one
SMILESCCc1ccc2c(c1)c(=O)c(C(=O)Cc1ccc(Oc3ncnc4cc(OC)c(OC)cc34)c(F)c1)c(C)n2C
InChIInChI=1S/C31H28FN3O5/c1-6-18-7-9-24-21(11-18)30(37)29(17(2)35(24)3)25(36)13-19-8-10-26(22(32)12-19)40-31-20-14-27(38-4)28(39-5)15-23(20)33-16-34-31/h7-12,14-16H,6,13H2,1-5H3
InChIKeyQPOFSAFOQBPFAN-UHFFFAOYSA-N
MW541.58 g/mol
LogP5.73
Rot. Bonds8

About 3-[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]acetyl]-6-ethyl-1,2-dimethylquinolin-4-one

3-[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]acetyl]-6-ethyl-1,2-dimethylquinolin-4-one (PubChem CID 159567255) has the molecular formula C31H28FN3O5 and a molecular weight of 541.58 g/mol. Its IUPAC name is 3-[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]acetyl]-6-ethyl-1,2-dimethylquinolin-4-one.

Molecular Properties

Compound Name3-[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]acetyl]-6-ethyl-1,2-dimethylquinolin-4-one
PubChem CID159567255
Molecular FormulaC31H28FN3O5
Molecular Weight541.58 g/mol
Exact Mass541.20
IUPAC Name3-[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]acetyl]-6-ethyl-1,2-dimethylquinolin-4-one
SMILESCCc1ccc2c(c1)c(=O)c(C(=O)Cc1ccc(Oc3ncnc4cc(OC)c(OC)cc34)c(F)c1)c(C)n2C
InChIInChI=1S/C31H28FN3O5/c1-6-18-7-9-24-21(11-18)30(37)29(17(2)35(24)3)25(36)13-19-8-10-26(22(32)12-19)40-31-20-14-27(38-4)28(39-5)15-23(20)33-16-34-31/h7-12,14-16H,6,13H2,1-5H3
InChIKeyQPOFSAFOQBPFAN-UHFFFAOYSA-N
XLogP5.73
TPSA92.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.58
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]acetyl]-6-ethyl-1,2-dimethylquinolin-4-one with MolForge

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Related Compounds

6-chloro-3-[2-[3-fluoro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]acetyl]-1,2-dimethylquinolin-4-one
CID 157377977
N-[3-fluoro-4-[7-methoxy-6-(3-methoxypropoxy)quinazolin-4-yl]oxyphenyl]-1,2-dimethyl-4-oxo-6-(trifluoromethoxy)quinoline-3-carboxamide
CID 139533679
N-[3-fluoro-4-[6-methoxy-7-(3-methylbutoxy)quinazolin-4-yl]oxyphenyl]-1,2-dimethyl-4-oxo-6-(trifluoromethoxy)quinoline-3-carboxamide
CID 139554444
N-[4-[7-[10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-10-oxodecoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide
CID 167228380
N-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide
CID 167228368
N-[4-[7-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]-5-hydroxypentoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide
CID 156785434
3-[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]acetyl]-1-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-one
CID 159265292
N-[4-[7-[10-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]amino]-10-oxodecoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide
CID 156785416
2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-fluorophenyl]acetic acid
CID 66907480
3-[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]acetyl]-6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-1H-[1,3]thiazeto[3,2-a]quinolin-4-one
CID 158271837
4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-6,7-dimethoxyquinazoline;propane
CID 142986375
7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-3-[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]acetyl]-6-fluoro-1,8-naphthyridin-4-one
CID 158468661

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]acetyl]-6-ethyl-1,2-dimethylquinolin-4-one?
The IUPAC name of 3-[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]acetyl]-6-ethyl-1,2-dimethylquinolin-4-one (CID 159567255) is 3-[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]acetyl]-6-ethyl-1,2-dimethylquinolin-4-one.
What is the SMILES notation for 3-[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]acetyl]-6-ethyl-1,2-dimethylquinolin-4-one?
The canonical SMILES for 3-[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]acetyl]-6-ethyl-1,2-dimethylquinolin-4-one is CCc1ccc2c(c1)c(=O)c(C(=O)Cc1ccc(Oc3ncnc4cc(OC)c(OC)cc34)c(F)c1)c(C)n2C.
What is the InChIKey of 3-[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]acetyl]-6-ethyl-1,2-dimethylquinolin-4-one?
The InChIKey is QPOFSAFOQBPFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28FN3O5/c1-6-18-7-9-24-21(11-18)30(37)29(17(2)35(24)3)25(36)13-19-8-10-26(22(32)12-19)40-31-20-14-27(38-4)28(39-5)15-23(20)33-16-34-31/h7-12,14-16H,6,13H2,1-5H3.
What are the key properties of 3-[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]acetyl]-6-ethyl-1,2-dimethylquinolin-4-one?
3-[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]acetyl]-6-ethyl-1,2-dimethylquinolin-4-one has a molecular weight of 541.58 g/mol, XLogP of 5.73, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]acetyl]-6-ethyl-1,2-dimethylquinolin-4-one is sourced from PubChem (CID 159567255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).