N-[4-(5,6-dimethoxyquinolin-4-yl)oxyphenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide

C30H25FN4O6 — CID 90452722

IUPACN-[4-(5,6-dimethoxyquinolin-4-yl)oxyphenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(Oc3ccnc4ccc(OC)c(OC)c34)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C30H25FN4O6/c1-4-34-17-22(29(37)35(30(34)38)20-9-5-18(31)6-10-20)28(36)33-19-7-11-21(12-8-19)41-24-15-16-32-23-13-14-25(39-2)27(40-3)26(23)24/h5-17H,4H2,1-3H3,(H,33,36)
InChIKeyWARLABAHGZMAFB-UHFFFAOYSA-N
MW556.55 g/mol
LogP4.77
Rot. Bonds8

About N-[4-(5,6-dimethoxyquinolin-4-yl)oxyphenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide

N-[4-(5,6-dimethoxyquinolin-4-yl)oxyphenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 90452722) has the molecular formula C30H25FN4O6 and a molecular weight of 556.55 g/mol. Its IUPAC name is N-[4-(5,6-dimethoxyquinolin-4-yl)oxyphenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(5,6-dimethoxyquinolin-4-yl)oxyphenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
PubChem CID90452722
Molecular FormulaC30H25FN4O6
Molecular Weight556.55 g/mol
Exact Mass556.18
IUPAC NameN-[4-(5,6-dimethoxyquinolin-4-yl)oxyphenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(Oc3ccnc4ccc(OC)c(OC)c34)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C30H25FN4O6/c1-4-34-17-22(29(37)35(30(34)38)20-9-5-18(31)6-10-20)28(36)33-19-7-11-21(12-8-19)41-24-15-16-32-23-13-14-25(39-2)27(40-3)26(23)24/h5-17H,4H2,1-3H3,(H,33,36)
InChIKeyWARLABAHGZMAFB-UHFFFAOYSA-N
XLogP4.77
TPSA113.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.55
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)phenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;N-[4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)phenyl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 163740451
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(4-fluorophenyl)-1-(2-hydroxyethyl)-2,4-dioxopyrimidine-5-carboxamide
CID 90452624
1-ethyl-3-(4-fluorophenyl)-N-[4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carboxamide
CID 156759188
1-ethyl-3-(4-fluorophenyl)-N-[4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-2,4-dioxopyrimidine-5-carboxamide;3-(4-fluorophenyl)-N-[4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 163996937
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propylpyrimidine-5-carboxamide
CID 71576420
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-1-(2-methylpropyl)-2,4-dioxopyrimidine-5-carboxamide
CID 90452587
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-1-[2-(2-fluorophenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide
CID 90452652
1-ethyl-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
CID 90452614
1-ethyl-N-[3-fluoro-4-[[3-[[(2S)-1-methoxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
CID 146432515
1-ethyl-N-[3-fluoro-4-[[3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
CID 146432907
N-[4-[(6,7-dimethoxy-1,2-dihydroquinolin-4-yl)oxy]-3-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
CID 121486337
N-[2-chloro-4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
CID 156759340

Frequently Asked Questions

What is the IUPAC name of N-[4-(5,6-dimethoxyquinolin-4-yl)oxyphenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of N-[4-(5,6-dimethoxyquinolin-4-yl)oxyphenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide (CID 90452722) is N-[4-(5,6-dimethoxyquinolin-4-yl)oxyphenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-(5,6-dimethoxyquinolin-4-yl)oxyphenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for N-[4-(5,6-dimethoxyquinolin-4-yl)oxyphenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide is CCn1cc(C(=O)Nc2ccc(Oc3ccnc4ccc(OC)c(OC)c34)cc2)c(=O)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of N-[4-(5,6-dimethoxyquinolin-4-yl)oxyphenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is WARLABAHGZMAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN4O6/c1-4-34-17-22(29(37)35(30(34)38)20-9-5-18(31)6-10-20)28(36)33-19-7-11-21(12-8-19)41-24-15-16-32-23-13-14-25(39-2)27(40-3)26(23)24/h5-17H,4H2,1-3H3,(H,33,36).
What are the key properties of N-[4-(5,6-dimethoxyquinolin-4-yl)oxyphenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide?
N-[4-(5,6-dimethoxyquinolin-4-yl)oxyphenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 556.55 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,6-dimethoxyquinolin-4-yl)oxyphenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 90452722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).