methyl 1-[(4-quinolin-4-yloxyphenyl)carbamoyl]cyclopropane-1-carboxylate

C21H18N2O4 — CID 130296636

IUPACmethyl 1-[(4-quinolin-4-yloxyphenyl)carbamoyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(=O)Nc2ccc(Oc3ccnc4ccccc34)cc2)CC1
InChIInChI=1S/C21H18N2O4/c1-26-20(25)21(11-12-21)19(24)23-14-6-8-15(9-7-14)27-18-10-13-22-17-5-3-2-4-16(17)18/h2-10,13H,11-12H2,1H3,(H,23,24)
InChIKeyZKPRVDWCTFSADV-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.92
Rot. Bonds5

About methyl 1-[(4-quinolin-4-yloxyphenyl)carbamoyl]cyclopropane-1-carboxylate

methyl 1-[(4-quinolin-4-yloxyphenyl)carbamoyl]cyclopropane-1-carboxylate (PubChem CID 130296636) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is methyl 1-[(4-quinolin-4-yloxyphenyl)carbamoyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-quinolin-4-yloxyphenyl)carbamoyl]cyclopropane-1-carboxylate
PubChem CID130296636
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Namemethyl 1-[(4-quinolin-4-yloxyphenyl)carbamoyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(=O)Nc2ccc(Oc3ccnc4ccccc34)cc2)CC1
InChIInChI=1S/C21H18N2O4/c1-26-20(25)21(11-12-21)19(24)23-14-6-8-15(9-7-14)27-18-10-13-22-17-5-3-2-4-16(17)18/h2-10,13H,11-12H2,1H3,(H,23,24)
InChIKeyZKPRVDWCTFSADV-UHFFFAOYSA-N
XLogP3.92
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]quinoline-6-carboxylate
CID 139350474
methyl 3-[[1-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]cyclopropanecarbonyl]amino]bicyclo[1.1.1]pentane-1-carboxylate
CID 146332238
1-N-[4-(7-bromoquinolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;ethane
CID 153329922
1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-(3-phenyl-1-bicyclo[1.1.1]pentanyl)cyclopropane-1,1-dicarboxamide
CID 146332455
[4-[4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl] N,N-dimethylcarbamate
CID 142610293
1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;phosphoric acid
CID 122573028
1-[[4-(7-methoxy-6-methylsulfonyloxyquinolin-4-yl)oxyphenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 126727714
4-methyl-N-(4-quinolin-4-yloxyphenyl)-1,3-oxazole-5-carboxamide
CID 71982272
methyl N-[4-[4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-7-methoxyquinolin-6-yl]carbamate
CID 139350519
1-N-[4-[6,7-bis(hydroxymethyl)quinolin-4-yl]oxyphenyl]-1-N'-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 162785606
1-N'-(4-fluoro-3-methylphenyl)-1-N-[4-(6-hydroxy-7-methoxyquinolin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 138463596
4-[4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-7-(methylamino)quinoline-6-carboxylic acid
CID 139350637

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-quinolin-4-yloxyphenyl)carbamoyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[(4-quinolin-4-yloxyphenyl)carbamoyl]cyclopropane-1-carboxylate (CID 130296636) is methyl 1-[(4-quinolin-4-yloxyphenyl)carbamoyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[(4-quinolin-4-yloxyphenyl)carbamoyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[(4-quinolin-4-yloxyphenyl)carbamoyl]cyclopropane-1-carboxylate is COC(=O)C1(C(=O)Nc2ccc(Oc3ccnc4ccccc34)cc2)CC1.
What is the InChIKey of methyl 1-[(4-quinolin-4-yloxyphenyl)carbamoyl]cyclopropane-1-carboxylate?
The InChIKey is ZKPRVDWCTFSADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-26-20(25)21(11-12-21)19(24)23-14-6-8-15(9-7-14)27-18-10-13-22-17-5-3-2-4-16(17)18/h2-10,13H,11-12H2,1H3,(H,23,24).
What are the key properties of methyl 1-[(4-quinolin-4-yloxyphenyl)carbamoyl]cyclopropane-1-carboxylate?
methyl 1-[(4-quinolin-4-yloxyphenyl)carbamoyl]cyclopropane-1-carboxylate has a molecular weight of 362.39 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-quinolin-4-yloxyphenyl)carbamoyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 130296636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).