N-[4-[6-methoxy-7-[(E)-3-morpholin-4-ylprop-1-enoxy]quinolin-4-yl]oxyphenyl]-1-methylcyclopropane-1-carboxamide

C28H31N3O5 — CID 130443911

IUPACN-[4-[6-methoxy-7-[(E)-3-morpholin-4-ylprop-1-enoxy]quinolin-4-yl]oxyphenyl]-1-methylcyclopropane-1-carboxamide
SMILESCOc1cc2c(Oc3ccc(NC(=O)C4(C)CC4)cc3)ccnc2cc1O/C=C/CN1CCOCC1
InChIInChI=1S/C28H31N3O5/c1-28(9-10-28)27(32)30-20-4-6-21(7-5-20)36-24-8-11-29-23-19-26(25(33-2)18-22(23)24)35-15-3-12-31-13-16-34-17-14-31/h3-8,11,15,18-19H,9-10,12-14,16-17H2,1-2H3,(H,30,32)/b15-3+
InChIKeyPOCWPCOHBXIASC-CRKCGEKBSA-N
MW489.57 g/mol
LogP5.00
Rot. Bonds9

About N-[4-[6-methoxy-7-[(E)-3-morpholin-4-ylprop-1-enoxy]quinolin-4-yl]oxyphenyl]-1-methylcyclopropane-1-carboxamide

N-[4-[6-methoxy-7-[(E)-3-morpholin-4-ylprop-1-enoxy]quinolin-4-yl]oxyphenyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 130443911) has the molecular formula C28H31N3O5 and a molecular weight of 489.57 g/mol. Its IUPAC name is N-[4-[6-methoxy-7-[(E)-3-morpholin-4-ylprop-1-enoxy]quinolin-4-yl]oxyphenyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[6-methoxy-7-[(E)-3-morpholin-4-ylprop-1-enoxy]quinolin-4-yl]oxyphenyl]-1-methylcyclopropane-1-carboxamide
PubChem CID130443911
Molecular FormulaC28H31N3O5
Molecular Weight489.57 g/mol
Exact Mass489.23
IUPAC NameN-[4-[6-methoxy-7-[(E)-3-morpholin-4-ylprop-1-enoxy]quinolin-4-yl]oxyphenyl]-1-methylcyclopropane-1-carboxamide
SMILESCOc1cc2c(Oc3ccc(NC(=O)C4(C)CC4)cc3)ccnc2cc1O/C=C/CN1CCOCC1
InChIInChI=1S/C28H31N3O5/c1-28(9-10-28)27(32)30-20-4-6-21(7-5-20)36-24-8-11-29-23-19-26(25(33-2)18-22(23)24)35-15-3-12-31-13-16-34-17-14-31/h3-8,11,15,18-19H,9-10,12-14,16-17H2,1-2H3,(H,30,32)/b15-3+
InChIKeyPOCWPCOHBXIASC-CRKCGEKBSA-N
XLogP5.00
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.57
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze N-[4-[6-methoxy-7-[(E)-3-morpholin-4-ylprop-1-enoxy]quinolin-4-yl]oxyphenyl]-1-methylcyclopropane-1-carboxamide 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-(3,3-dimethylbutyl)-3-[4-[6-methoxy-7-(4-morpholin-4-ylbutoxy)quinolin-4-yl]oxyphenyl]urea
CID 23022711
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea
CID 23084603
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
1-[[4-(7-methoxy-6-methylsulfonyloxyquinolin-4-yl)oxyphenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 126727714
1-[4-[6-cyano-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea
CID 22936388
trans-(1S,2R)-1-N'-[3-fluoro-5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)-2-methylcyclopropane-1,1-dicarboxamide
CID 130421936
1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;phosphoric acid
CID 122573028
2-(3,4-dimethoxyphenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 152648895
1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;hydrate
CID 53385812
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]cyclopropanecarboxamide
CID 141414883
1-N'-(4-fluorophenyl)-1-N-[4-[7-[5-(hydroxyamino)-5-oxopentoxy]-6-methoxyquinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 71465781
trans-(1S,2R)-1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-fluoro-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 162648053

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-methoxy-7-[(E)-3-morpholin-4-ylprop-1-enoxy]quinolin-4-yl]oxyphenyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-[6-methoxy-7-[(E)-3-morpholin-4-ylprop-1-enoxy]quinolin-4-yl]oxyphenyl]-1-methylcyclopropane-1-carboxamide (CID 130443911) is N-[4-[6-methoxy-7-[(E)-3-morpholin-4-ylprop-1-enoxy]quinolin-4-yl]oxyphenyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-[6-methoxy-7-[(E)-3-morpholin-4-ylprop-1-enoxy]quinolin-4-yl]oxyphenyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-[6-methoxy-7-[(E)-3-morpholin-4-ylprop-1-enoxy]quinolin-4-yl]oxyphenyl]-1-methylcyclopropane-1-carboxamide is COc1cc2c(Oc3ccc(NC(=O)C4(C)CC4)cc3)ccnc2cc1O/C=C/CN1CCOCC1.
What is the InChIKey of N-[4-[6-methoxy-7-[(E)-3-morpholin-4-ylprop-1-enoxy]quinolin-4-yl]oxyphenyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is POCWPCOHBXIASC-CRKCGEKBSA-N. The full InChI is InChI=1S/C28H31N3O5/c1-28(9-10-28)27(32)30-20-4-6-21(7-5-20)36-24-8-11-29-23-19-26(25(33-2)18-22(23)24)35-15-3-12-31-13-16-34-17-14-31/h3-8,11,15,18-19H,9-10,12-14,16-17H2,1-2H3,(H,30,32)/b15-3+.
What are the key properties of N-[4-[6-methoxy-7-[(E)-3-morpholin-4-ylprop-1-enoxy]quinolin-4-yl]oxyphenyl]-1-methylcyclopropane-1-carboxamide?
N-[4-[6-methoxy-7-[(E)-3-morpholin-4-ylprop-1-enoxy]quinolin-4-yl]oxyphenyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 489.57 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-methoxy-7-[(E)-3-morpholin-4-ylprop-1-enoxy]quinolin-4-yl]oxyphenyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 130443911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).