7-[4-[4-[(2-chlorophenyl)carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-N-hydroxyheptanamide

C30H31ClN4O6 — CID 162662388

IUPAC7-[4-[4-[(2-chlorophenyl)carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-N-hydroxyheptanamide
SMILESCOc1cc2c(Oc3ccc(NC(=O)Nc4ccccc4Cl)cc3)ccnc2cc1OCCCCCCC(=O)NO
InChIInChI=1S/C30H31ClN4O6/c1-39-27-18-22-25(19-28(27)40-17-7-3-2-4-10-29(36)35-38)32-16-15-26(22)41-21-13-11-20(12-14-21)33-30(37)34-24-9-6-5-8-23(24)31/h5-6,8-9,11-16,18-19,38H,2-4,7,10,17H2,1H3,(H,35,36)(H2,33,34,37)
InChIKeyRXEVBSFWGCDHGL-UHFFFAOYSA-N
MW579.05 g/mol
LogP7.17
Rot. Bonds13

About 7-[4-[4-[(2-chlorophenyl)carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-N-hydroxyheptanamide

7-[4-[4-[(2-chlorophenyl)carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-N-hydroxyheptanamide (PubChem CID 162662388) has the molecular formula C30H31ClN4O6 and a molecular weight of 579.05 g/mol. Its IUPAC name is 7-[4-[4-[(2-chlorophenyl)carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[4-[4-[(2-chlorophenyl)carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-N-hydroxyheptanamide
PubChem CID162662388
Molecular FormulaC30H31ClN4O6
Molecular Weight579.05 g/mol
Exact Mass578.19
IUPAC Name7-[4-[4-[(2-chlorophenyl)carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-N-hydroxyheptanamide
SMILESCOc1cc2c(Oc3ccc(NC(=O)Nc4ccccc4Cl)cc3)ccnc2cc1OCCCCCCC(=O)NO
InChIInChI=1S/C30H31ClN4O6/c1-39-27-18-22-25(19-28(27)40-17-7-3-2-4-10-29(36)35-38)32-16-15-26(22)41-21-13-11-20(12-14-21)33-30(37)34-24-9-6-5-8-23(24)31/h5-6,8-9,11-16,18-19,38H,2-4,7,10,17H2,1H3,(H,35,36)(H2,33,34,37)
InChIKeyRXEVBSFWGCDHGL-UHFFFAOYSA-N
XLogP7.17
TPSA131.04 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.05
LogP ≤ 57.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 7-[4-[4-[(2-chlorophenyl)carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-N-hydroxyheptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[7-[7-(2-hydroxyhydrazinyl)-7-oxoheptoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 175608816
1-N'-(4-fluorophenyl)-1-N-[4-[6-[6-(hydroxyamino)-6-oxohexoxy]-7-methoxyquinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 71466000
1-(2,6-dichlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 11225457
1-N'-(4-fluorophenyl)-1-N-[4-[7-[5-(hydroxyamino)-5-oxopentoxy]-6-methoxyquinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 71465781
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[(2-methoxyphenyl)carbamoyl]urea
CID 22935499
1-(2-bromophenyl)-3-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]urea
CID 22935470
1-N'-(4-fluorophenyl)-1-N-[4-[6-[4-(hydroxyamino)-4-oxobutoxy]-7-methoxyquinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 71465938
1-(2,5-dimethoxyphenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 22132728
1-(2,3-difluorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 11270888
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea
CID 23084603
1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(4-propan-2-ylphenyl)urea
CID 59813824
1-[4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 90349736

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-[(2-chlorophenyl)carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-N-hydroxyheptanamide?
The IUPAC name of 7-[4-[4-[(2-chlorophenyl)carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-N-hydroxyheptanamide (CID 162662388) is 7-[4-[4-[(2-chlorophenyl)carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-N-hydroxyheptanamide.
What is the SMILES notation for 7-[4-[4-[(2-chlorophenyl)carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-N-hydroxyheptanamide?
The canonical SMILES for 7-[4-[4-[(2-chlorophenyl)carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-N-hydroxyheptanamide is COc1cc2c(Oc3ccc(NC(=O)Nc4ccccc4Cl)cc3)ccnc2cc1OCCCCCCC(=O)NO.
What is the InChIKey of 7-[4-[4-[(2-chlorophenyl)carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-N-hydroxyheptanamide?
The InChIKey is RXEVBSFWGCDHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN4O6/c1-39-27-18-22-25(19-28(27)40-17-7-3-2-4-10-29(36)35-38)32-16-15-26(22)41-21-13-11-20(12-14-21)33-30(37)34-24-9-6-5-8-23(24)31/h5-6,8-9,11-16,18-19,38H,2-4,7,10,17H2,1H3,(H,35,36)(H2,33,34,37).
What are the key properties of 7-[4-[4-[(2-chlorophenyl)carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-N-hydroxyheptanamide?
7-[4-[4-[(2-chlorophenyl)carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-N-hydroxyheptanamide has a molecular weight of 579.05 g/mol, XLogP of 7.17, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-[(2-chlorophenyl)carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-N-hydroxyheptanamide is sourced from PubChem (CID 162662388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).