2-[4-[7-methoxy-6-[(1-methylazetidin-3-yl)carbamoyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide

C26H27N5O5 — CID 155792000

IUPAC2-[4-[7-methoxy-6-[(1-methylazetidin-3-yl)carbamoyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
SMILESCOc1cc2nccc(Oc3ccc(C4CC4(C(N)=O)C(N)=O)cc3)c2cc1C(=O)NC1CN(C)C1
InChIInChI=1S/C26H27N5O5/c1-31-12-15(13-31)30-23(32)18-9-17-20(10-22(18)35-2)29-8-7-21(17)36-16-5-3-14(4-6-16)19-11-26(19,24(27)33)25(28)34/h3-10,15,19H,11-13H2,1-2H3,(H2,27,33)(H2,28,34)(H,30,32)
InChIKeyURMAGPRJQIULHL-UHFFFAOYSA-N
MW489.53 g/mol
LogP1.52
Rot. Bonds8

About 2-[4-[7-methoxy-6-[(1-methylazetidin-3-yl)carbamoyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide

2-[4-[7-methoxy-6-[(1-methylazetidin-3-yl)carbamoyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide (PubChem CID 155792000) has the molecular formula C26H27N5O5 and a molecular weight of 489.53 g/mol. Its IUPAC name is 2-[4-[7-methoxy-6-[(1-methylazetidin-3-yl)carbamoyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name2-[4-[7-methoxy-6-[(1-methylazetidin-3-yl)carbamoyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
PubChem CID155792000
Molecular FormulaC26H27N5O5
Molecular Weight489.53 g/mol
Exact Mass489.20
IUPAC Name2-[4-[7-methoxy-6-[(1-methylazetidin-3-yl)carbamoyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
SMILESCOc1cc2nccc(Oc3ccc(C4CC4(C(N)=O)C(N)=O)cc3)c2cc1C(=O)NC1CN(C)C1
InChIInChI=1S/C26H27N5O5/c1-31-12-15(13-31)30-23(32)18-9-17-20(10-22(18)35-2)29-8-7-21(17)36-16-5-3-14(4-6-16)19-11-26(19,24(27)33)25(28)34/h3-10,15,19H,11-13H2,1-2H3,(H2,27,33)(H2,28,34)(H,30,32)
InChIKeyURMAGPRJQIULHL-UHFFFAOYSA-N
XLogP1.52
TPSA149.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[7-(2-hydroxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155791988
2-[4-[7-methoxy-6-(methylcarbamoylamino)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155791985
2-[4-[6-(1H-imidazol-2-yl)-7-methoxyquinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155791980
2-[4-[[7-methoxy-6-(2-methylpyrazol-3-yl)-1,5-naphthyridin-4-yl]oxy]phenyl]cyclopropane-1,1-dicarboxamide
CID 155791769
4-[4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide
CID 58931475
2-[4-[7-(2-hydroxyethoxycarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155791973
4-[5-(cyclopropylcarbamoyl)naphthalen-2-yl]oxy-7-methoxy-N-methylquinoline-6-carboxamide
CID 11316645
2-[4-[7-(6-methyl-3-pyridinyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 167343274
7-methoxy-N-methyl-4-(4-nitrosophenoxy)quinoline-6-carboxamide
CID 88925531
1-N'-(4-fluorophenyl)-1-N-[4-[7-methoxy-6-(oxetan-3-ylcarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 139350685
2-[4-(7-pyrimidin-4-ylquinolin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 167343268
2-[4-[7-(5-fluoro-3-pyridinyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 167343307

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-methoxy-6-[(1-methylazetidin-3-yl)carbamoyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 2-[4-[7-methoxy-6-[(1-methylazetidin-3-yl)carbamoyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide (CID 155792000) is 2-[4-[7-methoxy-6-[(1-methylazetidin-3-yl)carbamoyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 2-[4-[7-methoxy-6-[(1-methylazetidin-3-yl)carbamoyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 2-[4-[7-methoxy-6-[(1-methylazetidin-3-yl)carbamoyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide is COc1cc2nccc(Oc3ccc(C4CC4(C(N)=O)C(N)=O)cc3)c2cc1C(=O)NC1CN(C)C1.
What is the InChIKey of 2-[4-[7-methoxy-6-[(1-methylazetidin-3-yl)carbamoyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is URMAGPRJQIULHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O5/c1-31-12-15(13-31)30-23(32)18-9-17-20(10-22(18)35-2)29-8-7-21(17)36-16-5-3-14(4-6-16)19-11-26(19,24(27)33)25(28)34/h3-10,15,19H,11-13H2,1-2H3,(H2,27,33)(H2,28,34)(H,30,32).
What are the key properties of 2-[4-[7-methoxy-6-[(1-methylazetidin-3-yl)carbamoyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide?
2-[4-[7-methoxy-6-[(1-methylazetidin-3-yl)carbamoyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 489.53 g/mol, XLogP of 1.52, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-methoxy-6-[(1-methylazetidin-3-yl)carbamoyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 155792000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).