N-[4-[7-[2-(hydroxyamino)-2-oxoethoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-5-methyl-1-(2-methylphenyl)-4-oxopyridazine-3-carboxamide

C31H27N5O7 — CID 162645893

IUPACN-[4-[7-[2-(hydroxyamino)-2-oxoethoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-5-methyl-1-(2-methylphenyl)-4-oxopyridazine-3-carboxamide
SMILESCOc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5C)cc(C)c4=O)cc3)ccnc2cc1OCC(=O)NO
InChIInChI=1S/C31H27N5O7/c1-18-6-4-5-7-24(18)36-16-19(2)30(38)29(34-36)31(39)33-20-8-10-21(11-9-20)43-25-12-13-32-23-15-27(42-17-28(37)35-40)26(41-3)14-22(23)25/h4-16,40H,17H2,1-3H3,(H,33,39)(H,35,37)
InChIKeySRHOIBULWVUJNX-UHFFFAOYSA-N
MW581.59 g/mol
LogP4.33
Rot. Bonds9

About N-[4-[7-[2-(hydroxyamino)-2-oxoethoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-5-methyl-1-(2-methylphenyl)-4-oxopyridazine-3-carboxamide

N-[4-[7-[2-(hydroxyamino)-2-oxoethoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-5-methyl-1-(2-methylphenyl)-4-oxopyridazine-3-carboxamide (PubChem CID 162645893) has the molecular formula C31H27N5O7 and a molecular weight of 581.59 g/mol. Its IUPAC name is N-[4-[7-[2-(hydroxyamino)-2-oxoethoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-5-methyl-1-(2-methylphenyl)-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[7-[2-(hydroxyamino)-2-oxoethoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-5-methyl-1-(2-methylphenyl)-4-oxopyridazine-3-carboxamide
PubChem CID162645893
Molecular FormulaC31H27N5O7
Molecular Weight581.59 g/mol
Exact Mass581.19
IUPAC NameN-[4-[7-[2-(hydroxyamino)-2-oxoethoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-5-methyl-1-(2-methylphenyl)-4-oxopyridazine-3-carboxamide
SMILESCOc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5C)cc(C)c4=O)cc3)ccnc2cc1OCC(=O)NO
InChIInChI=1S/C31H27N5O7/c1-18-6-4-5-7-24(18)36-16-19(2)30(38)29(34-36)31(39)33-20-8-10-21(11-9-20)43-25-12-13-32-23-15-27(42-17-28(37)35-40)26(41-3)14-22(23)25/h4-16,40H,17H2,1-3H3,(H,33,39)(H,35,37)
InChIKeySRHOIBULWVUJNX-UHFFFAOYSA-N
XLogP4.33
TPSA153.90 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.59
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-fluoro-4-[7-[6-(hydroxyamino)-6-oxohexoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-1-(2-fluorophenyl)-5-methyl-4-oxopyridazine-3-carboxamide
CID 162672105
N-[3-fluoro-4-[7-[4-(hydroxyamino)-4-oxobutoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-5-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 162663981
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
CID 56847546
N-[3-fluoro-4-[7-[6-(hydroxyamino)-6-oxohexoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-5-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 162646816
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
N-(4-chlorophenyl)-1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-methyl-6-oxopyridazine-3-carboxamide
CID 171780286
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide
CID 22132777
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(4-fluorophenyl)-4-propan-2-yloxypyrazole-3-carboxamide
CID 56847543
methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate
CID 22132633
7-[4-[4-[(2-chlorophenyl)carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-N-hydroxyheptanamide
CID 162662388
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[(2-methoxyphenyl)carbamoyl]urea
CID 22935499
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea
CID 23084603

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-[2-(hydroxyamino)-2-oxoethoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-5-methyl-1-(2-methylphenyl)-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-[4-[7-[2-(hydroxyamino)-2-oxoethoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-5-methyl-1-(2-methylphenyl)-4-oxopyridazine-3-carboxamide (CID 162645893) is N-[4-[7-[2-(hydroxyamino)-2-oxoethoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-5-methyl-1-(2-methylphenyl)-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[4-[7-[2-(hydroxyamino)-2-oxoethoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-5-methyl-1-(2-methylphenyl)-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[4-[7-[2-(hydroxyamino)-2-oxoethoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-5-methyl-1-(2-methylphenyl)-4-oxopyridazine-3-carboxamide is COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5C)cc(C)c4=O)cc3)ccnc2cc1OCC(=O)NO.
What is the InChIKey of N-[4-[7-[2-(hydroxyamino)-2-oxoethoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-5-methyl-1-(2-methylphenyl)-4-oxopyridazine-3-carboxamide?
The InChIKey is SRHOIBULWVUJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N5O7/c1-18-6-4-5-7-24(18)36-16-19(2)30(38)29(34-36)31(39)33-20-8-10-21(11-9-20)43-25-12-13-32-23-15-27(42-17-28(37)35-40)26(41-3)14-22(23)25/h4-16,40H,17H2,1-3H3,(H,33,39)(H,35,37).
What are the key properties of N-[4-[7-[2-(hydroxyamino)-2-oxoethoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-5-methyl-1-(2-methylphenyl)-4-oxopyridazine-3-carboxamide?
N-[4-[7-[2-(hydroxyamino)-2-oxoethoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-5-methyl-1-(2-methylphenyl)-4-oxopyridazine-3-carboxamide has a molecular weight of 581.59 g/mol, XLogP of 4.33, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-[2-(hydroxyamino)-2-oxoethoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-5-methyl-1-(2-methylphenyl)-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 162645893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).