N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,6-difluorophenyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide

C33H25F2N3O6 — CID 121361517

IUPACN-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,6-difluorophenyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESCOc1cc2nccc(Oc3cc(F)c(NC(=O)c4cc5c(n(-c6ccccc6)c4=O)CCCC5=O)c(F)c3)c2cc1OC
InChIInChI=1S/C33H25F2N3O6/c1-42-29-16-20-25(17-30(29)43-2)36-12-11-28(20)44-19-13-23(34)31(24(35)14-19)37-32(40)22-15-21-26(9-6-10-27(21)39)38(33(22)41)18-7-4-3-5-8-18/h3-5,7-8,11-17H,6,9-10H2,1-2H3,(H,37,40)
InChIKeyGQBNIHJYEKWEHE-UHFFFAOYSA-N
MW597.57 g/mol
LogP6.24
Rot. Bonds7

About N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,6-difluorophenyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide

N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,6-difluorophenyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide (PubChem CID 121361517) has the molecular formula C33H25F2N3O6 and a molecular weight of 597.57 g/mol. Its IUPAC name is N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,6-difluorophenyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,6-difluorophenyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide
PubChem CID121361517
Molecular FormulaC33H25F2N3O6
Molecular Weight597.57 g/mol
Exact Mass597.17
IUPAC NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,6-difluorophenyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESCOc1cc2nccc(Oc3cc(F)c(NC(=O)c4cc5c(n(-c6ccccc6)c4=O)CCCC5=O)c(F)c3)c2cc1OC
InChIInChI=1S/C33H25F2N3O6/c1-42-29-16-20-25(17-30(29)43-2)36-12-11-28(20)44-19-13-23(34)31(24(35)14-19)37-32(40)22-15-21-26(9-6-10-27(21)39)38(33(22)41)18-7-4-3-5-8-18/h3-5,7-8,11-17H,6,9-10H2,1-2H3,(H,37,40)
InChIKeyGQBNIHJYEKWEHE-UHFFFAOYSA-N
XLogP6.24
TPSA108.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.57
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,6-difluorophenyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide with MolForge

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Related Compounds

acetic acid;N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide
CID 155278187
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide;ethane-1,1-disulfonic acid
CID 155278181
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-[(1S)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide
CID 121361531
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-(3-phenylpropyl)-7,8-dihydro-6H-quinoline-3-carboxamide
CID 121361552
2,5-dioxo-N,1-diphenyl-7,8-dihydro-6H-quinoline-3-carboxamide
CID 2054310
N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-6,6-dimethyl-2,5-dioxo-1-phenyl-7,8-dihydroquinoline-3-carboxamide
CID 121361538
N-[3-(6,7-dimethoxyquinazolin-4-yl)oxy-3,4-dihydropyridin-6-yl]-1-(4-fluorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
CID 155364736
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 45483444
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2,4-dioxo-3-phenyl-1-propan-2-ylpyrimidine-5-carboxamide
CID 71576566
1-(4-fluorophenyl)-2,5-dioxo-N-[4-(10H-pyrido[3,2-b][1,4]benzoxazin-4-yloxy)phenyl]-7,8-dihydro-6H-quinoline-3-carboxamide
CID 175460822
4-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-2-phenyl-6,7-dihydro-5H-isoquinoline-3,8-dione
CID 158647341
1-(1-hydroxy-3-methylbutyl)-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
CID 121395968

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,6-difluorophenyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide?
The IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,6-difluorophenyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide (CID 121361517) is N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,6-difluorophenyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide.
What is the SMILES notation for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,6-difluorophenyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide?
The canonical SMILES for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,6-difluorophenyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide is COc1cc2nccc(Oc3cc(F)c(NC(=O)c4cc5c(n(-c6ccccc6)c4=O)CCCC5=O)c(F)c3)c2cc1OC.
What is the InChIKey of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,6-difluorophenyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide?
The InChIKey is GQBNIHJYEKWEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25F2N3O6/c1-42-29-16-20-25(17-30(29)43-2)36-12-11-28(20)44-19-13-23(34)31(24(35)14-19)37-32(40)22-15-21-26(9-6-10-27(21)39)38(33(22)41)18-7-4-3-5-8-18/h3-5,7-8,11-17H,6,9-10H2,1-2H3,(H,37,40).
What are the key properties of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,6-difluorophenyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide?
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,6-difluorophenyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide has a molecular weight of 597.57 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,6-difluorophenyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide is sourced from PubChem (CID 121361517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).