N-[3-(6,7-dimethoxyquinolin-4-yl)oxy-1,2-dihydropyridin-6-yl]-6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxamide

C30H28FN5O5 — CID 146418867

IUPACN-[3-(6,7-dimethoxyquinolin-4-yl)oxy-1,2-dihydropyridin-6-yl]-6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxamide
SMILESCOc1cc2nccc(OC3=CC=C(NC(=O)c4cn(C(C)C)nc(-c5ccc(F)cc5)c4=O)NC3)c2cc1OC
InChIInChI=1S/C30H28FN5O5/c1-17(2)36-16-22(29(37)28(35-36)18-5-7-19(31)8-6-18)30(38)34-27-10-9-20(15-33-27)41-24-11-12-32-23-14-26(40-4)25(39-3)13-21(23)24/h5-14,16-17,33H,15H2,1-4H3,(H,34,38)
InChIKeyRAPVPSABPJCVPM-UHFFFAOYSA-N
MW557.58 g/mol
LogP4.33
Rot. Bonds8

About N-[3-(6,7-dimethoxyquinolin-4-yl)oxy-1,2-dihydropyridin-6-yl]-6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxamide

N-[3-(6,7-dimethoxyquinolin-4-yl)oxy-1,2-dihydropyridin-6-yl]-6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxamide (PubChem CID 146418867) has the molecular formula C30H28FN5O5 and a molecular weight of 557.58 g/mol. Its IUPAC name is N-[3-(6,7-dimethoxyquinolin-4-yl)oxy-1,2-dihydropyridin-6-yl]-6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(6,7-dimethoxyquinolin-4-yl)oxy-1,2-dihydropyridin-6-yl]-6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxamide
PubChem CID146418867
Molecular FormulaC30H28FN5O5
Molecular Weight557.58 g/mol
Exact Mass557.21
IUPAC NameN-[3-(6,7-dimethoxyquinolin-4-yl)oxy-1,2-dihydropyridin-6-yl]-6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxamide
SMILESCOc1cc2nccc(OC3=CC=C(NC(=O)c4cn(C(C)C)nc(-c5ccc(F)cc5)c4=O)NC3)c2cc1OC
InChIInChI=1S/C30H28FN5O5/c1-17(2)36-16-22(29(37)28(35-36)18-5-7-19(31)8-6-18)30(38)34-27-10-9-20(15-33-27)41-24-11-12-32-23-14-26(40-4)25(39-3)13-21(23)24/h5-14,16-17,33H,15H2,1-4H3,(H,34,38)
InChIKeyRAPVPSABPJCVPM-UHFFFAOYSA-N
XLogP4.33
TPSA116.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.58
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

5-(3,4-difluorophenyl)-N-[3-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 154975809
5-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-2,5-dicarboxamide
CID 146746007
6-[4-[1-[4-(5-aminopyrimidin-2-yl)oxy-7-methoxyquinolin-6-yl]oxyethyl]phenyl]-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid
CID 166995425
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-5-(4-fluorophenyl)-1-(oxan-4-yl)-4-oxopyridine-3-carboxamide
CID 139336947
1-cyclopropyl-N-[2-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-5-yl]-5-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide
CID 146418786
6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid
CID 146405807
5-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-3-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyridin-4-one
CID 147031383
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(4-fluorophenyl)-4-propan-2-yloxypyrazole-3-carboxamide
CID 56847543
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-(4-fluorophenyl)-3,5-dioxo-2-propan-2-yl-1,2,4-triazine-6-carboxamide
CID 90452671
3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-N-(2-methoxyphenyl)-1-methylpyrazole-4-carboxamide
CID 139533579
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 56603407
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-1-(2-methylpropyl)-2,4-dioxopyrimidine-5-carboxamide
CID 90452587

Frequently Asked Questions

What is the IUPAC name of N-[3-(6,7-dimethoxyquinolin-4-yl)oxy-1,2-dihydropyridin-6-yl]-6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxamide?
The IUPAC name of N-[3-(6,7-dimethoxyquinolin-4-yl)oxy-1,2-dihydropyridin-6-yl]-6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxamide (CID 146418867) is N-[3-(6,7-dimethoxyquinolin-4-yl)oxy-1,2-dihydropyridin-6-yl]-6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxamide.
What is the SMILES notation for N-[3-(6,7-dimethoxyquinolin-4-yl)oxy-1,2-dihydropyridin-6-yl]-6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxamide?
The canonical SMILES for N-[3-(6,7-dimethoxyquinolin-4-yl)oxy-1,2-dihydropyridin-6-yl]-6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxamide is COc1cc2nccc(OC3=CC=C(NC(=O)c4cn(C(C)C)nc(-c5ccc(F)cc5)c4=O)NC3)c2cc1OC.
What is the InChIKey of N-[3-(6,7-dimethoxyquinolin-4-yl)oxy-1,2-dihydropyridin-6-yl]-6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxamide?
The InChIKey is RAPVPSABPJCVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN5O5/c1-17(2)36-16-22(29(37)28(35-36)18-5-7-19(31)8-6-18)30(38)34-27-10-9-20(15-33-27)41-24-11-12-32-23-14-26(40-4)25(39-3)13-21(23)24/h5-14,16-17,33H,15H2,1-4H3,(H,34,38).
What are the key properties of N-[3-(6,7-dimethoxyquinolin-4-yl)oxy-1,2-dihydropyridin-6-yl]-6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxamide?
N-[3-(6,7-dimethoxyquinolin-4-yl)oxy-1,2-dihydropyridin-6-yl]-6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxamide has a molecular weight of 557.58 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6,7-dimethoxyquinolin-4-yl)oxy-1,2-dihydropyridin-6-yl]-6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxamide is sourced from PubChem (CID 146418867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).